smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000409414788 1069811602 /nfs/dbraw/zinc/81/16/02/1069811602.db2.gz OGAALCAMVGRVKS-VPBGZUCWSA-N 1 0 646.829 5.509 50 0 KKAARO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccs3)c2)CC1 ZINC000101955172 1069825235 /nfs/dbraw/zinc/82/52/35/1069825235.db2.gz VZQKSEHXOHGFFZ-UHFFFAOYSA-N 1 0 537.129 5.660 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524729146 1069825934 /nfs/dbraw/zinc/82/59/34/1069825934.db2.gz FYZRAJRJPBNCIK-OCUZPWFOSA-N 1 0 662.872 5.558 50 0 KKAARO COc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000524735253 1069839292 /nfs/dbraw/zinc/83/92/92/1069839292.db2.gz LQCWCGOEWWQGLQ-JHOUSYSJSA-N 1 0 561.553 7.038 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000102136135 1069844121 /nfs/dbraw/zinc/84/41/21/1069844121.db2.gz ZQNYEKJUKABKLT-IUDBTDONSA-N 1 0 558.097 6.363 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2c3occ(-c4ccccc4)c3c(C)cc2oc1=O ZINC000409414018 1069848641 /nfs/dbraw/zinc/84/86/41/1069848641.db2.gz MPOPOPYFXSZFCU-LBNVMWSVSA-N 1 0 556.703 6.105 50 0 KKAARO COc1ccc(OC)c(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248244351 1069850305 /nfs/dbraw/zinc/85/03/05/1069850305.db2.gz GEHKWNZHBVKLTB-OXDQLBRCSA-N 1 0 536.628 5.418 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)CN1C1Cc3ccccc3C1)CC2 ZINC000102239456 1069851792 /nfs/dbraw/zinc/85/17/92/1069851792.db2.gz BUMLXWTXIHYDCE-YTMVLYRLSA-N 1 0 579.663 5.007 50 0 KKAARO COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c1 ZINC000102261935 1069852852 /nfs/dbraw/zinc/85/28/52/1069852852.db2.gz FDFZUZKWPMKAAJ-GDLZYMKVSA-N 1 0 553.703 6.348 50 0 KKAARO O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102469986 1069858705 /nfs/dbraw/zinc/85/87/05/1069858705.db2.gz TUYRNODSKLRTHV-MUUNZHRXSA-N 1 0 576.137 5.784 50 0 KKAARO CN(Cc1cscn1)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000102625184 1069860805 /nfs/dbraw/zinc/86/08/05/1069860805.db2.gz ODRRCRAKRQTJMH-UHFFFAOYSA-N 1 0 558.723 5.741 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410423 1069857384 /nfs/dbraw/zinc/85/73/84/1069857384.db2.gz XUKSNNQMMSTVND-RUZDIDTESA-N 1 0 547.621 6.817 50 0 KKAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3C[C@@H](C(=O)NC(C)C)N(Cc4cccc(Cl)c4)C3)ccc21 ZINC000023362136 1070042692 /nfs/dbraw/zinc/04/26/92/1070042692.db2.gz BLRXZDARUIVJAD-GIGWZHCTSA-N 1 0 503.090 5.725 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000409414751 1070928615 /nfs/dbraw/zinc/92/86/15/1070928615.db2.gz WIPTXFZRGNBGPD-IUGUYLHOSA-N 1 0 572.750 5.101 50 0 KKAARO OCCOC(/C=C/c1n(-c2ccccc2)c2cc3ccccc3cc2[n+]1-c1ccccc1)=C/C=C1N(c2ccccc2)c2cc3ccccc3cc2N1c1ccccc1 ZINC000685944267 1070940520 /nfs/dbraw/zinc/94/05/20/1070940520.db2.gz ANJLLWZWJVTQOI-UHFFFAOYSA-N 1 0 765.937 11.951 50 0 KKAARO CN1c2ccccc2C(C)(C)C1=CC=C1CCCc2c(-c3ccccc3)cc(-c3c(F)c(F)c(F)c(F)c3F)[o+]c21 ZINC000685944619 1070944332 /nfs/dbraw/zinc/94/43/32/1070944332.db2.gz GPMYOAZPRHBVHM-WUKNDPDISA-N 1 0 560.586 8.907 50 0 KKAARO CCN1c2ccccc2S/C1=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)C[C@H](C(=O)NC(C)C)C1 ZINC000685944661 1070944962 /nfs/dbraw/zinc/94/49/62/1070944962.db2.gz RNKPGSVZCJIEKR-UHFFFAOYSA-O 1 0 516.756 6.927 50 0 KKAARO CCN1c2ccc(Cl)cc2S/C1=C/C=C/C1=C/C(=C/c2sc3ccc4ccccc4c3[n+]2CC)CC(C)(C)C1 ZINC000685944309 1070941310 /nfs/dbraw/zinc/94/13/10/1070941310.db2.gz JPWYCGIHUKNSAL-UHFFFAOYSA-N 1 0 570.247 10.175 50 0 KKAARO CCN1c2cc(Cl)c(Cl)cc2N(CC)C1=C/C=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000685944564 1070943755 /nfs/dbraw/zinc/94/37/55/1070943755.db2.gz MIJOAGCUICUKED-UHFFFAOYSA-N 1 0 565.634 9.409 50 0 KKAARO COc1ccc(OC)c(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000299776786 1071048648 /nfs/dbraw/zinc/04/86/48/1071048648.db2.gz HGBVXCBZGPOXEY-NRFANRHFSA-N 1 0 536.694 5.496 50 0 KKAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000014966705 1071066236 /nfs/dbraw/zinc/06/62/36/1071066236.db2.gz YCMZCXBOFIEMFO-UHFFFAOYSA-N 1 0 517.580 5.157 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575442948 1071124853 /nfs/dbraw/zinc/12/48/53/1071124853.db2.gz KTJIRLNWBKBSJE-UHFFFAOYSA-N 1 0 526.105 6.877 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000299768099 1071128042 /nfs/dbraw/zinc/12/80/42/1071128042.db2.gz GBFMPNJKHKJGIU-LJQANCHMSA-N 1 0 531.575 5.340 50 0 KKAARO Cc1cc(C)c(NC(=O)[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N(CCc3ccccc3)[C@@H]2c2cccn2C)C(C)C)c(C)c1 ZINC000575442925 1071142954 /nfs/dbraw/zinc/14/29/54/1071142954.db2.gz JULWKIKMKQMWTF-LLMATUJJSA-N 1 0 576.785 6.727 50 0 KKAARO COc1ccc(C)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)Nc1ccccc1)[C@H]23 ZINC000257185315 1071186457 /nfs/dbraw/zinc/18/64/57/1071186457.db2.gz JJWOYPGVFPTSMZ-QEFFQVBRSA-N 1 0 504.675 5.519 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)c1)Cc1cccc2ncccc12 ZINC000011784921 1071231439 /nfs/dbraw/zinc/23/14/39/1071231439.db2.gz FRSGEZTUWBPHJZ-UHFFFAOYSA-N 1 0 531.660 5.736 50 0 KKAARO COc1ccc(C[NH2+]Cc2cc3ccc(F)cc3nc2N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000011912580 1071233728 /nfs/dbraw/zinc/23/37/28/1071233728.db2.gz SSBNEPKQVAHWOA-UHFFFAOYSA-N 1 0 521.036 5.661 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)c1)Cc1cccc2ncccc12 ZINC000012041329 1071235069 /nfs/dbraw/zinc/23/50/69/1071235069.db2.gz NQDKROXHZHBRBL-HKBQPEDESA-N 1 0 534.660 5.111 50 0 KKAARO COc1cc(C(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4ccsc4)c3)CC2)cc(OC)c1OC ZINC000012201286 1071238602 /nfs/dbraw/zinc/23/86/02/1071238602.db2.gz QHFMCPGZJOVNPR-UHFFFAOYSA-N 1 0 510.656 5.090 50 0 KKAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N(CCCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604404049 1071268376 /nfs/dbraw/zinc/26/83/76/1071268376.db2.gz ANKZXIMZBGQTDU-LUZOJMLRSA-N 1 0 720.952 5.819 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccccc2)C1 ZINC000200511698 1071290561 /nfs/dbraw/zinc/29/05/61/1071290561.db2.gz RWDHXTAGZZZGSB-XZWHSSHBSA-N 1 0 517.673 5.722 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000200514735 1071290628 /nfs/dbraw/zinc/29/06/28/1071290628.db2.gz BWAUUDGRBYMXTL-ABYGYWHVSA-N 1 0 567.730 5.550 50 0 KKAARO O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CCN2Cc2ccncc2)Oc2ccc(O)c1c2 ZINC000952858820 1071297512 /nfs/dbraw/zinc/29/75/12/1071297512.db2.gz HBJQKIKAVCWJGT-PMERELPUSA-N 1 0 507.590 5.240 50 0 KKAARO O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097983625 1072839712 /nfs/dbraw/zinc/83/97/12/1072839712.db2.gz ZSFPVGLXPLEPQB-YESHOFFLSA-N 1 0 573.504 9.147 50 0 KKAARO CC(C)C[N@H+]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014536476 1072891348 /nfs/dbraw/zinc/89/13/48/1072891348.db2.gz OWCKJHXPEVNTJL-RBBKRZOGSA-N 1 0 501.593 5.519 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960963 1072893887 /nfs/dbraw/zinc/89/38/87/1072893887.db2.gz WUZCDWPOSKNROZ-DEOSSOPVSA-N 1 0 501.656 5.182 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000015007829 1072896334 /nfs/dbraw/zinc/89/63/34/1072896334.db2.gz OSQKGZJTLPIYTG-UHFFFAOYSA-N 1 0 507.681 5.160 50 0 KKAARO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000020450312 1072898267 /nfs/dbraw/zinc/89/82/67/1072898267.db2.gz YUEVFWUZLYBUNM-UWHODWSDSA-N 1 0 532.084 5.064 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000055035830 1072899246 /nfs/dbraw/zinc/89/92/46/1072899246.db2.gz YRPBBDFLDZCUAD-UHFFFAOYSA-N 1 0 524.630 5.631 50 0 KKAARO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000001019664 551597204 /nfs/dbraw/zinc/59/72/04/551597204.db2.gz WFVVMUOCJWVLFU-XPNCQOHCSA-N 1 0 597.759 6.665 50 0 KKAARO COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3ccccc3I)c2cc1OC ZINC000001323575 551642175 /nfs/dbraw/zinc/64/21/75/551642175.db2.gz IWLPYJZETUXFNU-UHFFFAOYSA-N 1 0 584.410 5.717 50 0 KKAARO Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CO6)CC[NH+](C)CC4)cc3)c(C)c2)no1 ZINC000001485772 551683003 /nfs/dbraw/zinc/68/30/03/551683003.db2.gz ATQMRMGXINTJHV-UHFFFAOYSA-N 1 0 520.633 5.579 50 0 in-vivo KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000001836027 551712400 /nfs/dbraw/zinc/71/24/00/551712400.db2.gz JUWWVQCOIOMOGR-MGBGTMOVSA-N 1 0 518.657 7.186 50 0 biogenic KKAARO CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000002322149 552094432 /nfs/dbraw/zinc/09/44/32/552094432.db2.gz XQHVLQZUBRMASU-JCOAXYOVSA-N 1 0 526.280 6.706 50 0 KKAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002428185 552117163 /nfs/dbraw/zinc/11/71/63/552117163.db2.gz FNIRWKIAUHOBTH-SANMLTNESA-N 1 0 518.997 5.141 50 0 KKAARO C[NH+](C)CCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O ZINC000002623409 552138411 /nfs/dbraw/zinc/13/84/11/552138411.db2.gz VSWDOFUKBMWGEY-UHFFFAOYSA-N 1 0 502.665 5.270 50 0 KKAARO CCCC[NH+](CCCC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000002689996 552158101 /nfs/dbraw/zinc/15/81/01/552158101.db2.gz DBWTUDPXCRAXRB-IBGZPJMESA-N 1 0 510.314 6.583 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040378 552272742 /nfs/dbraw/zinc/27/27/42/552272742.db2.gz ADARYWOIIINIJJ-UHFFFAOYSA-N 1 0 501.696 6.158 50 0 KKAARO Cc1nc2c(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cnn2c(C)c1Cc1c(F)cccc1Cl ZINC000003042005 552273227 /nfs/dbraw/zinc/27/32/27/552273227.db2.gz SIOWXNCUYGDCFG-UHFFFAOYSA-N 1 0 502.078 5.463 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054670 552279782 /nfs/dbraw/zinc/27/97/82/552279782.db2.gz MYXMPHJGINWDMI-TURZUDJPSA-N 1 0 578.576 6.346 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000003061372 552282368 /nfs/dbraw/zinc/28/23/68/552282368.db2.gz JVHQDVYIXWRYDX-AWSUPERCSA-N 1 0 551.756 6.766 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062549 552283444 /nfs/dbraw/zinc/28/34/44/552283444.db2.gz FPSGMIQCHGQJRH-BDRDOBMZSA-N 1 0 529.681 6.110 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003063945 552284479 /nfs/dbraw/zinc/28/44/79/552284479.db2.gz RTQLHBFVUCEAPL-VEILYXNESA-N 1 0 547.124 5.676 50 0 KKAARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)c(C[NH+](C)C)c21 ZINC000003279914 552335575 /nfs/dbraw/zinc/33/55/75/552335575.db2.gz CXVVEPWWPFIFLW-UHFFFAOYSA-N 1 0 533.624 7.076 50 0 KKAARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)/C=C/c3ccc4c(c3)OCO4)c(C[NH+](C)C)c21 ZINC000003319768 552355279 /nfs/dbraw/zinc/35/52/79/552355279.db2.gz FHCPOZRZVPWVSU-RVDMUPIBSA-N 1 0 513.546 5.686 50 0 KKAARO CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C1=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC000003410740 552381874 /nfs/dbraw/zinc/38/18/74/552381874.db2.gz SOMMQCZDEQGXBG-OQKWZONESA-N 1 0 589.714 5.741 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000003661388 552407030 /nfs/dbraw/zinc/40/70/30/552407030.db2.gz HTEOXDQNFOVGPW-WDYNHAJCSA-N 1 0 517.645 5.163 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762086 552478814 /nfs/dbraw/zinc/47/88/14/552478814.db2.gz YPRDMNCJUKJPKQ-WJOKGBTCSA-N 1 0 615.800 5.027 50 0 KKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc3n2)CC1 ZINC000004791370 552484742 /nfs/dbraw/zinc/48/47/42/552484742.db2.gz SPRFWTZEZHSHQY-UHFFFAOYSA-N 1 0 542.675 5.223 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000006166839 552557271 /nfs/dbraw/zinc/55/72/71/552557271.db2.gz JHTRDMBCIXMMOX-UHFFFAOYSA-N 1 0 616.076 9.024 50 0 KKAARO COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000006288741 552578661 /nfs/dbraw/zinc/57/86/61/552578661.db2.gz DOVBOJPFPUKKMX-UHFFFAOYSA-N 1 0 529.493 5.451 50 0 KKAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000008431529 553023375 /nfs/dbraw/zinc/02/33/75/553023375.db2.gz JTVOVRLUTXDTFK-BQCMWAFGSA-N 1 0 506.687 5.130 50 0 KKAARO O=C(c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444010 553048785 /nfs/dbraw/zinc/04/87/85/553048785.db2.gz QFPWVIAGFDXMQI-UHFFFAOYSA-N 1 0 588.472 5.904 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCC1 ZINC000008448361 553056046 /nfs/dbraw/zinc/05/60/46/553056046.db2.gz DRVRSGNPQJRSMD-AWEZNQCLSA-N 1 0 531.086 5.539 50 0 KKAARO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454549 553069250 /nfs/dbraw/zinc/06/92/50/553069250.db2.gz HVWUEARPJITHSF-UHFFFAOYSA-N 1 0 622.917 6.558 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21)CC(C)C ZINC000008593018 553084784 /nfs/dbraw/zinc/08/47/84/553084784.db2.gz YOLUVMWRUSGQDY-UHFFFAOYSA-N 1 0 502.522 6.460 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008597039 553091617 /nfs/dbraw/zinc/09/16/17/553091617.db2.gz AQRNZUFKGRWNIE-UHFFFAOYSA-N 1 0 635.253 6.199 50 0 KKAARO Clc1ccc2c(c1)[C@H]1CC(c3ccc(Br)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717714 553129160 /nfs/dbraw/zinc/12/91/60/553129160.db2.gz IMTHVRJQTXXHOU-RUZDIDTESA-N 1 0 522.874 6.638 50 0 KKAARO CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C=CC4=C5C[C@](C)(C(=O)OCC[NH3+])CC(=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000008740004 553131566 /nfs/dbraw/zinc/13/15/66/553131566.db2.gz DOKJVTCSBRXQNS-PKJLRPQFSA-N 1 0 511.747 5.750 50 0 biogenic KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000008749492 553134875 /nfs/dbraw/zinc/13/48/75/553134875.db2.gz WOMIVVVCLHIQKL-QOZHDYOESA-N 1 0 610.843 6.777 50 0 KKAARO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763379 553137801 /nfs/dbraw/zinc/13/78/01/553137801.db2.gz WDSMVGBNMQDOOZ-GDLZYMKVSA-N 1 0 514.691 7.263 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008836255 553162872 /nfs/dbraw/zinc/16/28/72/553162872.db2.gz WTSCZGUKFYBRBM-OAQYLSRUSA-N 1 0 519.281 5.957 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911891 553184671 /nfs/dbraw/zinc/18/46/71/553184671.db2.gz PYDZVWOBQNZSRB-UHFFFAOYSA-N 1 0 501.700 5.542 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+]2CCCC2)cc1OCC ZINC000009088528 553208925 /nfs/dbraw/zinc/20/89/25/553208925.db2.gz BZAYKQWIPKBNFG-RUZDIDTESA-N 1 0 510.675 5.046 50 0 biogenic KKAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095156 553209585 /nfs/dbraw/zinc/20/95/85/553209585.db2.gz ITRWUMXUARAAAE-RCRUUEGKSA-N 1 0 508.666 5.535 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009185419 553217254 /nfs/dbraw/zinc/21/72/54/553217254.db2.gz DDLTVXAHSAVDRX-MHZLTWQESA-N 1 0 522.476 7.530 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000009233032 553224007 /nfs/dbraw/zinc/22/40/07/553224007.db2.gz VNENYALQPUMAJD-OAQYLSRUSA-N 1 0 507.270 5.621 50 0 KKAARO COc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009272634 553231800 /nfs/dbraw/zinc/23/18/00/553231800.db2.gz MSJGVPLVRYDSQE-RUZDIDTESA-N 1 0 518.455 5.994 50 0 KKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc(Sc5ccccc5)cc4)=NN23)cc1 ZINC000009358175 553247528 /nfs/dbraw/zinc/24/75/28/553247528.db2.gz YVALUFAEOYAGQI-WJOKGBTCSA-N 1 0 517.698 7.374 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000009359004 553247933 /nfs/dbraw/zinc/24/79/33/553247933.db2.gz ZDUYNZXUTJDJHX-SIFUEBAJSA-N 1 0 526.339 8.336 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009407174 553256808 /nfs/dbraw/zinc/25/68/08/553256808.db2.gz VJTDEFHECFLXHS-VMPREFPWSA-N 1 0 530.738 5.013 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009433325 553263059 /nfs/dbraw/zinc/26/30/59/553263059.db2.gz JHWNGRAWSBQZHE-URLMMPGGSA-N 1 0 517.739 6.102 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H]1c1cccs1 ZINC000009433310 553263087 /nfs/dbraw/zinc/26/30/87/553263087.db2.gz SOBKELACTROAIH-VMPREFPWSA-N 1 0 515.723 6.555 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000009490454 553273643 /nfs/dbraw/zinc/27/36/43/553273643.db2.gz GZLJLNCKKWAIEI-LJQANCHMSA-N 1 0 510.476 5.762 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009598058 553284134 /nfs/dbraw/zinc/28/41/34/553284134.db2.gz KTXIWMSEINGBOU-UHFFFAOYSA-N 1 0 502.522 6.748 50 0 KKAARO CC(C)c1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCCC2)cc1 ZINC000009665115 553293474 /nfs/dbraw/zinc/29/34/74/553293474.db2.gz PZRVDPXCHKBYDJ-UHFFFAOYSA-N 1 0 520.724 5.951 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009775994 553304794 /nfs/dbraw/zinc/30/47/94/553304794.db2.gz OFVGSSADIQRIDX-LOYHVIPDSA-N 1 0 517.714 5.547 50 0 KKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009779029 553307377 /nfs/dbraw/zinc/30/73/77/553307377.db2.gz PMIPJDSVKCWRSZ-UHFFFAOYSA-N 1 0 522.158 6.320 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009836121 553310501 /nfs/dbraw/zinc/31/05/01/553310501.db2.gz RBBJCOWHMYNFJU-KYJUHHDHSA-N 1 0 531.672 5.553 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009857855 553313805 /nfs/dbraw/zinc/31/38/05/553313805.db2.gz KJKYZOJOYBHPNK-XZWHSSHBSA-N 1 0 529.750 6.022 50 0 KKAARO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)s1 ZINC000012122239 553351656 /nfs/dbraw/zinc/35/16/56/553351656.db2.gz OSCPQBYIUOGDAM-MHZLTWQESA-N 1 0 513.707 6.701 50 0 KKAARO COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000012282329 553356273 /nfs/dbraw/zinc/35/62/73/553356273.db2.gz HETQYIZWOAJJHD-HXUWFJFHSA-N 1 0 502.611 5.649 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000012363360 553359470 /nfs/dbraw/zinc/35/94/70/553359470.db2.gz HBWOUHJZARSKNR-UHFFFAOYSA-N 1 0 501.627 5.083 50 0 KKAARO CSCCSc1nc2cc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc2c(=O)n1CC(C)C ZINC000013016880 553432963 /nfs/dbraw/zinc/43/29/63/553432963.db2.gz PLQPOGYPSFRHDL-UHFFFAOYSA-N 1 0 530.804 5.426 50 0 KKAARO Cc1cc(/C=C2\Sc3ccccc3N2Cc2ccccc2)cc(C)[n+]1-c1ccc(Br)cc1 ZINC000013051253 553443306 /nfs/dbraw/zinc/44/33/06/553443306.db2.gz PCJAKUBDAOKLGF-UHFFFAOYSA-N 1 0 500.485 7.454 50 0 KKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000013129774 553451017 /nfs/dbraw/zinc/45/10/17/553451017.db2.gz NNUZVIVVZVEGEM-UHFFFAOYSA-N 1 0 505.471 5.370 50 0 KKAARO Cc1nc2sc3c(nc(NCCC[NH+](C)C)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013135674 553452809 /nfs/dbraw/zinc/45/28/09/553452809.db2.gz LBEXKXWKVOESKC-UHFFFAOYSA-N 1 0 512.079 5.172 50 0 KKAARO Brc1ccc(-[n+]2c3c(cc4c2[C@H](C2=CCCCC2)CCC4)CCC[C@@H]3C2=CCCCC2)cc1 ZINC000013512870 553467885 /nfs/dbraw/zinc/46/78/85/553467885.db2.gz BWMHCJRXTZFTMZ-ISILISOKSA-N 1 0 503.548 8.566 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](CCc2ccccc2)C1 ZINC000014751042 553520431 /nfs/dbraw/zinc/52/04/31/553520431.db2.gz UOLCBIPCAWWQPK-RRPNLBNLSA-N 1 0 509.625 5.415 50 0 KKAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4cccc(-c5cccc(F)c5)c4)CC3)cc2)cn1 ZINC000014991784 553524145 /nfs/dbraw/zinc/52/41/45/553524145.db2.gz DTVCYUGTGOHRQF-UHFFFAOYSA-N 1 0 512.629 5.542 50 0 KKAARO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015945906 553544191 /nfs/dbraw/zinc/54/41/91/553544191.db2.gz GFADXQKLFNGACF-HXUWFJFHSA-N 1 0 535.710 5.897 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947068 553545095 /nfs/dbraw/zinc/54/50/95/553545095.db2.gz YHILSUQXAUFKTF-QHCPKHFHSA-N 1 0 512.473 6.285 50 0 KKAARO CCCN1c2ccccc2C(C)(C)/C1=C\C=C1/CCCC(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)=C1Cl ZINC000016678233 553571684 /nfs/dbraw/zinc/57/16/84/553571684.db2.gz MMSREVPDKSWDLN-UHFFFAOYSA-N 1 0 540.215 9.724 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cccc2C)s1 ZINC000017287578 553592006 /nfs/dbraw/zinc/59/20/06/553592006.db2.gz YUYSJHABZCCBAC-UHFFFAOYSA-N 1 0 528.744 5.158 50 0 KKAARO O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000017337621 553593618 /nfs/dbraw/zinc/59/36/18/553593618.db2.gz PBEXWGCHZSTBSH-UHFFFAOYSA-N 1 0 554.145 5.017 50 0 KKAARO O=C(Nc1ncc(SCC[NH+]2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1 ZINC000070471849 553594443 /nfs/dbraw/zinc/59/44/43/553594443.db2.gz QIIVJLHCZUTGSD-CUBQBAPOSA-N 1 0 559.823 5.744 50 0 investigational KKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)ccc2Sc2ccc(Cl)cc21 ZINC000020178885 553602850 /nfs/dbraw/zinc/60/28/50/553602850.db2.gz SJZNXEJQNVCAHG-UHFFFAOYSA-N 1 0 518.126 7.020 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070672932 553603099 /nfs/dbraw/zinc/60/30/99/553603099.db2.gz UVVRCAOQNORAME-SWQVUISVSA-N 1 0 525.862 8.816 50 0 biogenic KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000070687008 553605857 /nfs/dbraw/zinc/60/58/57/553605857.db2.gz JIVVYSVNBXXPDE-LKJIKJMRSA-N 1 0 561.694 6.353 50 0 biogenic KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+]2CCN(C)CC2)c2ccccc12 ZINC000019367742 553614050 /nfs/dbraw/zinc/61/40/50/553614050.db2.gz KUXIXKQQVHSSSQ-HHHXNRCGSA-N 1 0 539.720 5.636 50 0 KKAARO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC5CC(C)(C)[NH2+]C(C)(C)C5)cc4)C(=O)N32)cc1 ZINC000070704729 553623612 /nfs/dbraw/zinc/62/36/12/553623612.db2.gz IECYCWYPYVSVFX-IGYGKHONSA-N 1 0 589.740 5.998 50 0 biogenic KKAARO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)C(=O)N32)cc1 ZINC000070705097 553624604 /nfs/dbraw/zinc/62/46/04/553624604.db2.gz NOZANMFZVXKJNL-IGYGKHONSA-N 1 0 589.740 5.998 50 0 biogenic KKAARO CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240907 553626798 /nfs/dbraw/zinc/62/67/98/553626798.db2.gz WFTYPVSRZVKVGJ-XMMPIXPASA-N 1 0 505.659 5.327 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000020242441 553627295 /nfs/dbraw/zinc/62/72/95/553627295.db2.gz TXTASJUTNZLQPO-DIPNUNPCSA-N 1 0 521.658 5.005 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)CC(C)C ZINC000020242833 553628148 /nfs/dbraw/zinc/62/81/48/553628148.db2.gz IIKLIAJFIMRSKY-KXQOOQHDSA-N 1 0 531.722 5.358 50 0 KKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000019932824 553635500 /nfs/dbraw/zinc/63/55/00/553635500.db2.gz JPYHJSIOXZNVNY-MUUNZHRXSA-N 1 0 518.013 5.190 50 0 KKAARO CC(C)CC[C@@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020386591 553644087 /nfs/dbraw/zinc/64/40/87/553644087.db2.gz BUBPACAMFNRYID-OAQYLSRUSA-N 1 0 515.521 6.588 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000072177060 553645682 /nfs/dbraw/zinc/64/56/82/553645682.db2.gz VSTLDFFVZAQSGM-VXKWHMMOSA-N 1 0 580.150 5.431 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412838 553647426 /nfs/dbraw/zinc/64/74/26/553647426.db2.gz GCGDEQDQFMMORL-JKPJYHRWSA-N 1 0 519.129 6.361 50 0 biogenic KKAARO c1ccc(-c2oc3ncn4nc(CC[N@@H+]5CCCC[C@@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437264 553648670 /nfs/dbraw/zinc/64/86/70/553648670.db2.gz VMUNPUZYQPNZMA-RUZDIDTESA-N 1 0 500.606 6.369 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508481 553668047 /nfs/dbraw/zinc/66/80/47/553668047.db2.gz XOMYJDZULCAASN-FQLXRVMXSA-N 1 0 530.738 5.461 50 0 KKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000020508717 553668321 /nfs/dbraw/zinc/66/83/21/553668321.db2.gz YXFSFFJSJMLLLX-KYJUHHDHSA-N 1 0 527.734 6.842 50 0 KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000020611947 553679659 /nfs/dbraw/zinc/67/96/59/553679659.db2.gz CVOXPHSKZYIAOW-FDCUTXSFSA-N 1 0 518.648 5.906 50 0 biogenic KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612098 553679732 /nfs/dbraw/zinc/67/97/32/553679732.db2.gz UPYWLQWRUNUSPT-YBLDIBISSA-N 1 0 517.113 6.281 50 0 biogenic KKAARO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000085540998 553683149 /nfs/dbraw/zinc/68/31/49/553683149.db2.gz ZCTJIMXXSXQXRI-XZWHSSHBSA-N 1 0 696.841 7.063 50 0 biogenic,in-vitro KKAARO COc1ccc(Nc2c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000020105310 553689320 /nfs/dbraw/zinc/68/93/20/553689320.db2.gz HOJZAPOUDLYZGA-UHFFFAOYSA-N 1 0 521.539 7.146 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728655 553691206 /nfs/dbraw/zinc/69/12/06/553691206.db2.gz HXNAEQIQJZBEQJ-QUPMIFSKSA-N 1 0 511.691 5.847 50 0 KKAARO CCOc1cc(C(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc(OCC)c1OCC ZINC000020108672 553691408 /nfs/dbraw/zinc/69/14/08/553691408.db2.gz LEPQROQMRZZPTA-UHFFFAOYSA-N 1 0 506.647 5.134 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732214 553692129 /nfs/dbraw/zinc/69/21/29/553692129.db2.gz UKQBCVZZAFLBIC-KWLUCORDSA-N 1 0 537.704 6.346 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C2)CCN1C ZINC000085977441 553692490 /nfs/dbraw/zinc/69/24/90/553692490.db2.gz QAFGBLDGRLFICB-URLMMPGGSA-N 1 0 638.761 6.868 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736269 553693779 /nfs/dbraw/zinc/69/37/79/553693779.db2.gz GOPSKIDWPPBPST-YNAQZEJMSA-N 1 0 515.654 5.720 50 0 KKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)C1CCCCC1 ZINC000020737455 553694280 /nfs/dbraw/zinc/69/42/80/553694280.db2.gz QQOCHDNESPNGCQ-FUFPDLRRSA-N 1 0 505.728 6.268 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000021163072 553709163 /nfs/dbraw/zinc/70/91/63/553709163.db2.gz UGIDXKZGWWFRHR-DQEYMECFSA-N 1 0 501.719 5.379 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000021163063 553709254 /nfs/dbraw/zinc/70/92/54/553709254.db2.gz UGIDXKZGWWFRHR-PLQXJYEYSA-N 1 0 501.719 5.379 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)cc2Br)nc2ccc(OC)cc21 ZINC000095721745 553710114 /nfs/dbraw/zinc/71/01/14/553710114.db2.gz YWPCLBUQOZWORF-PMXLPMHFSA-N 1 0 576.377 7.256 50 0 KKAARO S=c1n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000022036772 553723323 /nfs/dbraw/zinc/72/33/23/553723323.db2.gz NQFBNPJXHQLPMN-HKBQPEDESA-N 1 0 575.738 6.280 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Cl)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000096230584 553731616 /nfs/dbraw/zinc/73/16/16/553731616.db2.gz JBNZLPSYWHQWPJ-UHFFFAOYSA-N 1 0 514.066 5.308 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1)NCC[NH+]1CCCC1 ZINC000096275466 553732496 /nfs/dbraw/zinc/73/24/96/553732496.db2.gz ASVORZDZWZNDMU-HHHXNRCGSA-N 1 0 519.611 6.442 50 0 KKAARO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096287407 553738276 /nfs/dbraw/zinc/73/82/76/553738276.db2.gz DGKJOTKXVBBBHA-MHZLTWQESA-N 1 0 513.657 5.880 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(C)cc1 ZINC000096287473 553738601 /nfs/dbraw/zinc/73/86/01/553738601.db2.gz IMDCQLHQVBEWJQ-QVWWMRLHSA-N 1 0 539.764 7.155 50 0 KKAARO O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NCC[NH+]1CCCC1 ZINC000096288631 553740550 /nfs/dbraw/zinc/74/05/50/553740550.db2.gz WJXGSHVUGIPUHX-UHFFFAOYSA-N 1 0 514.284 5.843 50 0 KKAARO O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn21)NCC[NH+]1CCCC1 ZINC000096289929 553742527 /nfs/dbraw/zinc/74/25/27/553742527.db2.gz YKWBRCSOKMZCPP-UHFFFAOYSA-N 1 0 507.465 6.120 50 0 KKAARO CCOC(=O)[C@@H]1C[C@H]1CN1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659970 553748746 /nfs/dbraw/zinc/74/87/46/553748746.db2.gz YJVBXGFMMSQTKM-WIOPSUGQSA-N 1 0 505.486 5.306 50 0 KKAARO CC(C)[NH2+]C[C@@H](O)CO[C@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000096580068 553756113 /nfs/dbraw/zinc/75/61/13/553756113.db2.gz QDVQRNIBPWUUKM-FQLXRVMXSA-N 1 0 507.678 6.377 50 0 KKAARO Nc1c(-c2ccccc2)c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccc(F)cc1 ZINC000022920679 553767057 /nfs/dbraw/zinc/76/70/57/553767057.db2.gz XRTMQUFPUKEAQH-UHFFFAOYSA-N 1 0 517.652 6.168 50 0 KKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022924910 553767086 /nfs/dbraw/zinc/76/70/86/553767086.db2.gz RZCIBMKUWVZWQH-VWLOTQADSA-N 1 0 529.464 5.007 50 0 KKAARO O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022924971 553767504 /nfs/dbraw/zinc/76/75/04/553767504.db2.gz FQNIZHZPCDPSFY-SSEXGKCCSA-N 1 0 501.674 6.154 50 0 KKAARO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000023129028 553770724 /nfs/dbraw/zinc/77/07/24/553770724.db2.gz ZWJYVWCSDUACGV-BHBYDHKZSA-N 1 0 534.144 5.230 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000097947808 553788903 /nfs/dbraw/zinc/78/89/03/553788903.db2.gz YAHHBMSKVBGGLL-UHFFFAOYSA-N 1 0 542.463 5.753 50 0 KKAARO CCc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(CC)cc5)nc5ccccc54)CC3)c3ccccc3n2)cc1 ZINC000097949280 553801103 /nfs/dbraw/zinc/80/11/03/553801103.db2.gz DJVMIPVMMSKACH-UHFFFAOYSA-N 1 0 718.946 7.799 50 0 KKAARO O=C(Nc1cccc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462496 553809470 /nfs/dbraw/zinc/80/94/70/553809470.db2.gz WNWZXPIYKLTWKS-RBJSKKJNSA-N 1 0 512.440 7.552 50 0 KKAARO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000027585382 553835578 /nfs/dbraw/zinc/83/55/78/553835578.db2.gz NDANVFLWWIJPOH-UHFFFAOYSA-N 1 0 533.676 5.942 50 0 KKAARO O=C(NC1CC[NH+](CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000027990463 553837110 /nfs/dbraw/zinc/83/71/10/553837110.db2.gz MBBCVAKAJPKAKM-UHFFFAOYSA-N 1 0 693.732 8.382 50 0 fda KKAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000029747771 553848569 /nfs/dbraw/zinc/84/85/69/553848569.db2.gz CLNMDMKPRPJVNR-UHFFFAOYSA-N 1 0 562.670 5.282 50 0 KKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000029748084 553849553 /nfs/dbraw/zinc/84/95/53/553849553.db2.gz HWHJDXUHNMMLSZ-ULPIOCOXSA-N 1 0 541.692 6.039 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963438 553890017 /nfs/dbraw/zinc/89/00/17/553890017.db2.gz GHHBEVKIOHSHRK-UHFFFAOYSA-N 1 0 594.828 6.608 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963433 553890196 /nfs/dbraw/zinc/89/01/96/553890196.db2.gz UBPVCQDCMZGWDY-OYRHEFFESA-N 1 0 608.855 6.710 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2c(Br)cc(Br)cc2Br)nc2ccc(N)cc21 ZINC000097966591 553909595 /nfs/dbraw/zinc/90/95/95/553909595.db2.gz MWIHQOMIUCPJLI-SOGBHIHOSA-N 1 0 640.262 7.592 50 0 KKAARO O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354946 553932175 /nfs/dbraw/zinc/93/21/75/553932175.db2.gz JOTRDKSLKYGTNC-UHFFFAOYSA-N 1 0 533.982 5.388 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000033355705 553936426 /nfs/dbraw/zinc/93/64/26/553936426.db2.gz LKQVHROZTSZOMJ-WPHQEQLXSA-N 1 0 595.582 5.311 50 0 KKAARO COc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000033355772 553936899 /nfs/dbraw/zinc/93/68/99/553936899.db2.gz WIJOZENIGYMMPC-UHFFFAOYSA-N 1 0 573.738 5.174 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O)CC(C)C ZINC000033356425 553941483 /nfs/dbraw/zinc/94/14/83/553941483.db2.gz NQPKHZDPCXYXIN-RRHRGVEJSA-N 1 0 563.739 5.887 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356772 553944208 /nfs/dbraw/zinc/94/42/08/553944208.db2.gz KWSJJVDGRSPSGS-XLJNKUFUSA-N 1 0 591.152 5.170 50 0 KKAARO CC[C@@H](c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C[NH+]2CCCC2)c1)[C@H](CC)c1ccc(OC)cc1 ZINC000097973075 553968209 /nfs/dbraw/zinc/96/82/09/553968209.db2.gz CLTWNWVTOBHGEJ-AMAPPZPBSA-N 1 0 589.820 8.985 50 0 KKAARO CCCC[C@@H](CC)C(=O)N(CC[NH+]1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000033793173 553974090 /nfs/dbraw/zinc/97/40/90/553974090.db2.gz RCACJCGFJQZDJG-RUZDIDTESA-N 1 0 515.739 5.865 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669909 553982244 /nfs/dbraw/zinc/98/22/44/553982244.db2.gz GQFCRXRYAJLBCZ-WNCULLNHSA-N 1 0 512.572 5.992 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671776 553982320 /nfs/dbraw/zinc/98/23/20/553982320.db2.gz NUKYPGXWXORPRV-HEVIKAOCSA-N 1 0 518.701 6.925 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671619 553982540 /nfs/dbraw/zinc/98/25/40/553982540.db2.gz AXSHSLGNMFARCU-JHOUSYSJSA-N 1 0 519.689 6.054 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698964 553991943 /nfs/dbraw/zinc/99/19/43/553991943.db2.gz ZXOFJOFVHPIAAQ-ABYGYWHVSA-N 1 0 504.646 5.857 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699156 553992476 /nfs/dbraw/zinc/99/24/76/553992476.db2.gz BANXZYFKGPGFNK-BKMJKUGQSA-N 1 0 501.568 5.949 50 0 KKAARO Cc1cc([C@@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716674 553995559 /nfs/dbraw/zinc/99/55/59/553995559.db2.gz VPGIDMQPCKRJFS-PKTZIBPZSA-N 1 0 518.982 6.728 50 0 KKAARO Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716780 553995602 /nfs/dbraw/zinc/99/56/02/553995602.db2.gz QOWNPVISDLPHGN-IZLXSDGUSA-N 1 0 503.637 5.223 50 0 KKAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000034725485 553996777 /nfs/dbraw/zinc/99/67/77/553996777.db2.gz KHUSHUFAXUWUAO-UHFFFAOYSA-N 1 0 508.062 5.413 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829531 554011865 /nfs/dbraw/zinc/01/18/65/554011865.db2.gz FJHODKBJOQPYBS-UHFFFAOYSA-N 1 0 509.698 5.774 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034814863 554011885 /nfs/dbraw/zinc/01/18/85/554011885.db2.gz VKULZLRZVOVQAX-UHFFFAOYSA-N 1 0 501.719 5.673 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830121 554014317 /nfs/dbraw/zinc/01/43/17/554014317.db2.gz MGLFGDLKKIEGCG-XJFCNFDWSA-N 1 0 529.750 5.801 50 0 KKAARO CC[C@@H](C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830249 554014885 /nfs/dbraw/zinc/01/48/85/554014885.db2.gz IYXQGTVXRXKXOE-NEEKEDPPSA-N 1 0 529.750 5.649 50 0 KKAARO COc1ccccc1N1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000097984243 554015071 /nfs/dbraw/zinc/01/50/71/554015071.db2.gz NUXKPGCAKGEFRQ-HXUWFJFHSA-N 1 0 573.329 5.511 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034835002 554019252 /nfs/dbraw/zinc/01/92/52/554019252.db2.gz QYGLCGAGTYMGDE-DEOSSOPVSA-N 1 0 515.746 6.061 50 0 KKAARO CCCCOc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034835543 554019879 /nfs/dbraw/zinc/01/98/79/554019879.db2.gz MVEZHKLVCSRWGZ-UHFFFAOYSA-N 1 0 535.708 5.693 50 0 KKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(C)cc1C ZINC000034835790 554020473 /nfs/dbraw/zinc/02/04/73/554020473.db2.gz HZJOVYMKDRYLIY-UHFFFAOYSA-N 1 0 506.670 5.523 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1 ZINC000034910117 554028964 /nfs/dbraw/zinc/02/89/64/554028964.db2.gz LUYYLFXINKEKOW-UHFFFAOYSA-N 1 0 521.709 5.276 50 0 KKAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000035397158 554047783 /nfs/dbraw/zinc/04/77/83/554047783.db2.gz BAYJYEOMTXSTHH-UHFFFAOYSA-N 1 0 513.107 5.641 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(Br)cc1)=N2 ZINC000035397204 554047819 /nfs/dbraw/zinc/04/78/19/554047819.db2.gz UYKDLBJKSOBBOJ-UHFFFAOYSA-N 1 0 513.505 5.451 50 0 KKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397196 554047885 /nfs/dbraw/zinc/04/78/85/554047885.db2.gz AXNYOJMUKSYYNK-UHFFFAOYSA-N 1 0 505.869 5.098 50 0 KKAARO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005992 554060222 /nfs/dbraw/zinc/06/02/22/554060222.db2.gz KMHYZAIQYYMDLL-SXWRLULGSA-N 1 0 543.634 5.279 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000098007367 554063782 /nfs/dbraw/zinc/06/37/82/554063782.db2.gz KPXRSOBZIDDLJG-CFRBSIFHSA-N 1 0 634.507 6.285 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000035774033 554073630 /nfs/dbraw/zinc/07/36/30/554073630.db2.gz BCKMHUYGHAISMA-NSOVKSMOSA-N 1 0 533.713 5.453 50 0 KKAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842657 554081146 /nfs/dbraw/zinc/08/11/46/554081146.db2.gz LYLOPIVBZOZREF-UHFFFAOYSA-N 1 0 507.719 5.146 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842591 554081226 /nfs/dbraw/zinc/08/12/26/554081226.db2.gz OWCCRSJRXLJGMQ-PMERELPUSA-N 1 0 505.747 6.012 50 0 KKAARO CC(C)OC[C@@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842639 554081319 /nfs/dbraw/zinc/08/13/19/554081319.db2.gz BPNXIFHZGWCPJN-NDEPHWFRSA-N 1 0 521.746 5.533 50 0 KKAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000035842724 554081635 /nfs/dbraw/zinc/08/16/35/554081635.db2.gz LYQXNMWZAJLTOJ-UHFFFAOYSA-N 1 0 534.100 5.940 50 0 KKAARO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000035843673 554082106 /nfs/dbraw/zinc/08/21/06/554082106.db2.gz ODRMDVXVPANQFL-UHFFFAOYSA-N 1 0 526.483 7.096 50 0 KKAARO Cc1ccccc1C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035843685 554082315 /nfs/dbraw/zinc/08/23/15/554082315.db2.gz QXOIARICWCWDDU-UHFFFAOYSA-N 1 0 520.504 7.019 50 0 KKAARO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871394 554085693 /nfs/dbraw/zinc/08/56/93/554085693.db2.gz GIMKUDMQJZCYDI-AOYPEHQESA-N 1 0 513.991 5.538 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)c(C)c1 ZINC000098012068 554087404 /nfs/dbraw/zinc/08/74/04/554087404.db2.gz DDEPRSJVQFAWHF-YTTGMZPUSA-N 1 0 567.759 5.312 50 0 KKAARO O=C(NCc1cccnc1)c1ccc(CSc2nc(N3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015114 554095838 /nfs/dbraw/zinc/09/58/38/554095838.db2.gz XCUDMOVGOHQZOZ-UHFFFAOYSA-N 1 0 568.625 5.028 50 0 KKAARO Cc1cc(Oc2cnn(-c3ccccc3Cl)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1Cl ZINC000098015639 554101296 /nfs/dbraw/zinc/10/12/96/554101296.db2.gz YVIWKYPLQGLFDG-UHFFFAOYSA-N 1 0 552.462 5.675 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000098019737 554114422 /nfs/dbraw/zinc/11/44/22/554114422.db2.gz AGFZZXWJVZRLCC-UHFFFAOYSA-N 1 0 562.711 5.115 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043737 554128546 /nfs/dbraw/zinc/12/85/46/554128546.db2.gz IFUTVBBIKMJMLR-RPBOFIJWSA-N 1 0 769.376 7.230 50 0 KKAARO CC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000098045558 554132408 /nfs/dbraw/zinc/13/24/08/554132408.db2.gz UADDHYRQYHMWEW-UHFFFAOYSA-N 1 0 574.769 7.469 50 0 KKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000098047178 554147651 /nfs/dbraw/zinc/14/76/51/554147651.db2.gz XBHOIOCUZDWSAJ-OAQYLSRUSA-N 1 0 548.275 5.595 50 0 KKAARO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1OC ZINC000098048090 554159554 /nfs/dbraw/zinc/15/95/54/554159554.db2.gz JPRRZVXXSDCZPK-UHFFFAOYSA-N 1 0 537.664 5.385 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CC[NH+](C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048142 554159741 /nfs/dbraw/zinc/15/97/41/554159741.db2.gz VZODFMDSMOQRNS-CXNSMIOJSA-N 1 0 765.014 9.920 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000036067304 554165516 /nfs/dbraw/zinc/16/55/16/554165516.db2.gz QVFDTSQHELWKNC-ZDECTKFTSA-N 1 0 507.763 5.680 50 0 KKAARO CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CCCC2)cc1 ZINC000036116629 554182102 /nfs/dbraw/zinc/18/21/02/554182102.db2.gz LLIAAPYILDZTRL-NDEPHWFRSA-N 1 0 537.770 5.491 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)CCC[C@@]21C ZINC000036157526 554198810 /nfs/dbraw/zinc/19/88/10/554198810.db2.gz AFNBJAYDGOHJLH-PSXWTVODSA-N 1 0 500.727 6.744 50 0 KKAARO COCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccccc1C ZINC000036203145 554201220 /nfs/dbraw/zinc/20/12/20/554201220.db2.gz DULUXXOFYOHGIY-UHFFFAOYSA-N 1 0 501.623 5.538 50 0 KKAARO CC1=CC(C)(C)N(C(=O)C[NH+]2CCCCC2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000100086272 554209016 /nfs/dbraw/zinc/20/90/16/554209016.db2.gz OJKPYKAUXPRMBI-UHFFFAOYSA-N 1 0 540.751 8.084 50 0 KKAARO CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1)C1CCCCC1 ZINC000036249649 554210212 /nfs/dbraw/zinc/21/02/12/554210212.db2.gz POXCDPXIZRCHJJ-UHFFFAOYSA-N 1 0 510.082 6.360 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)(C)C ZINC000036305098 554214981 /nfs/dbraw/zinc/21/49/81/554214981.db2.gz ZRYDXWWGXNPSPI-QFIPXVFZSA-N 1 0 502.055 5.157 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306546 554215774 /nfs/dbraw/zinc/21/57/74/554215774.db2.gz NNGGGJMAAREVFY-MUUNZHRXSA-N 1 0 511.666 5.978 50 0 KKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307239 554215807 /nfs/dbraw/zinc/21/58/07/554215807.db2.gz WPDHQPMIUOUXAW-RSXGOPAZSA-N 1 0 511.638 5.033 50 0 KKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316106 554219614 /nfs/dbraw/zinc/21/96/14/554219614.db2.gz MDWHXRRIHVFINP-QHCPKHFHSA-N 1 0 501.618 5.649 50 0 KKAARO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344498 554223310 /nfs/dbraw/zinc/22/33/10/554223310.db2.gz LSWNULRDNMJVOH-LJAQVGFWSA-N 1 0 515.629 5.475 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](Cc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000037380127 554237287 /nfs/dbraw/zinc/23/72/87/554237287.db2.gz UWZFXCXFKLKDPX-MVSFAKPFSA-N 1 0 523.765 7.341 50 0 KKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C3=O)s1 ZINC000037407967 554242607 /nfs/dbraw/zinc/24/26/07/554242607.db2.gz VIIJNUOQAAFSPP-MWXNICTNSA-N 1 0 526.791 5.687 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524007 554250096 /nfs/dbraw/zinc/25/00/96/554250096.db2.gz VARBROKZCAHOAP-LITSAYRRSA-N 1 0 526.618 7.167 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523999 554250117 /nfs/dbraw/zinc/25/01/17/554250117.db2.gz CKYFFCMWEQOLFE-RPLLCQBOSA-N 1 0 530.581 6.998 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524154 554250361 /nfs/dbraw/zinc/25/03/61/554250361.db2.gz SAVYTGWDLKJHKL-XRKRLSELSA-N 1 0 508.628 7.028 50 0 KKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c(C)c1 ZINC000038139103 554259013 /nfs/dbraw/zinc/25/90/13/554259013.db2.gz ATLWQJFAEBYNQN-UHFFFAOYSA-N 1 0 562.761 5.259 50 0 KKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1C ZINC000038139159 554259365 /nfs/dbraw/zinc/25/93/65/554259365.db2.gz RNTSNHMJGYWEKC-UHFFFAOYSA-N 1 0 542.771 5.465 50 0 KKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000038139147 554259420 /nfs/dbraw/zinc/25/94/20/554259420.db2.gz GNDHJVSSCIKOCO-UHFFFAOYSA-N 1 0 578.760 5.041 50 0 KKAARO CCC(=O)OC1(c2ccccc2)CC[NH+](CC[C@H]2CN(C(C)C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000039304868 554278674 /nfs/dbraw/zinc/27/86/74/554278674.db2.gz QOJOMXBGEQVITK-HKBQPEDESA-N 1 0 538.732 6.174 50 0 KKAARO CCN1c2cc(OC)ccc2S/C1=C/C1=C/C(=C/c2sc3ccc(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000039440305 554279325 /nfs/dbraw/zinc/27/93/25/554279325.db2.gz QNJLLJIHGAYPRS-UHFFFAOYSA-N 1 0 519.756 7.829 50 0 KKAARO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+](C)C)c4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000043170519 554297334 /nfs/dbraw/zinc/29/73/34/554297334.db2.gz QTBWCSQGBMPECM-UHFFFAOYSA-N 1 0 507.642 5.935 50 0 investigational KKAARO COc1ccccc1OCC[NH+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722694 554324662 /nfs/dbraw/zinc/32/46/62/554324662.db2.gz JRLQBMKMDMZBGW-SVBPBHIXSA-N 1 0 645.756 6.525 50 0 in-vitro KKAARO COc1ccccc1OCC[N@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722695 554324672 /nfs/dbraw/zinc/32/46/72/554324672.db2.gz JRLQBMKMDMZBGW-MKPDMIMOSA-N 1 0 645.756 6.525 50 0 in-vitro KKAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12 ZINC000049756387 554324929 /nfs/dbraw/zinc/32/49/29/554324929.db2.gz IKNOZZKXIDSTRN-PXLJZGITSA-N 1 0 678.830 6.531 50 0 investigational KKAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NCc3ccccc3Cl)n2n1 ZINC000050861781 554328168 /nfs/dbraw/zinc/32/81/68/554328168.db2.gz LKWVGJOEXDPGEH-UHFFFAOYSA-N 1 0 542.068 5.240 50 0 KKAARO COc1cc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356147 554344716 /nfs/dbraw/zinc/34/47/16/554344716.db2.gz SBJYLUVEUBELOW-GOXGLGGOSA-N 1 0 552.074 6.980 50 0 KKAARO COc1cc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356156 554344940 /nfs/dbraw/zinc/34/49/40/554344940.db2.gz SBJYLUVEUBELOW-ZOYWYXQUSA-N 1 0 552.074 6.980 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371838 554348089 /nfs/dbraw/zinc/34/80/89/554348089.db2.gz DKWRLBHQKYFJQS-QNGWXLTQSA-N 1 0 536.097 5.273 50 0 KKAARO CCCc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000054284488 554349444 /nfs/dbraw/zinc/34/94/44/554349444.db2.gz XSXFIBMYTBQQFE-UHFFFAOYSA-N 1 0 505.666 6.011 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000057222912 554353112 /nfs/dbraw/zinc/35/31/12/554353112.db2.gz ZKVWCPZMJCBNKG-UHFFFAOYSA-N 1 0 522.443 5.200 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c3c(c(-c4ccccc4)nn3-c3ccccc3)c2n(Cc2ccccc2)c1C[NH+]1CCCCC1 ZINC000100625013 554434725 /nfs/dbraw/zinc/43/47/25/554434725.db2.gz SZKODXZIGOGICV-UHFFFAOYSA-N 1 0 626.757 7.783 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000100684074 554448933 /nfs/dbraw/zinc/44/89/33/554448933.db2.gz YJYZLUOIRGJXDO-RUZDIDTESA-N 1 0 569.341 7.110 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2ccc(C)cc2s1 ZINC000060209660 554503464 /nfs/dbraw/zinc/50/34/64/554503464.db2.gz CHBNOAZPODOOAD-UHFFFAOYSA-N 1 0 562.761 5.735 50 0 KKAARO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2c1 ZINC000060209735 554503692 /nfs/dbraw/zinc/50/36/92/554503692.db2.gz IMCBRVYGMSFKBG-UHFFFAOYSA-N 1 0 580.776 5.504 50 0 KKAARO CCCCOc1ccc([C@](O)(CCC)[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426874 554508634 /nfs/dbraw/zinc/50/86/34/554508634.db2.gz ZGIIRWXTCHNSIL-BHDXBOSCSA-N 1 0 504.690 6.598 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCCC)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515019 554509781 /nfs/dbraw/zinc/50/97/81/554509781.db2.gz KEVZOGUKXGKGJX-SAIUNTKASA-N 1 0 518.717 6.988 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000064261564 554510779 /nfs/dbraw/zinc/51/07/79/554510779.db2.gz HZGVYCKFXUCJKR-MKRXODRLSA-N 1 0 583.368 6.011 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000068244040 554538581 /nfs/dbraw/zinc/53/85/81/554538581.db2.gz SKEPGOHGQVXXOH-VFCFBJKWSA-N 1 0 565.114 5.287 50 0 KKAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009609 554557154 /nfs/dbraw/zinc/55/71/54/554557154.db2.gz RADVIKCJDOXKSC-JSOSNVBQSA-N 1 0 571.718 5.184 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000101050676 554568756 /nfs/dbraw/zinc/56/87/56/554568756.db2.gz NRBGTYDVTVBPFK-GDLZYMKVSA-N 1 0 578.113 5.179 50 0 KKAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064444 554571680 /nfs/dbraw/zinc/57/16/80/554571680.db2.gz JLEJNNHBBFNPSP-LZEUDMGESA-N 1 0 556.460 5.081 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202370 554672936 /nfs/dbraw/zinc/67/29/36/554672936.db2.gz PKPVAUJGGSQOMJ-AXGKCNHXSA-N 1 0 625.597 5.054 50 0 biogenic KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202375 554672946 /nfs/dbraw/zinc/67/29/46/554672946.db2.gz PKPVAUJGGSQOMJ-BIRRFFDLSA-N 1 0 625.597 5.054 50 0 biogenic KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202415 554673144 /nfs/dbraw/zinc/67/31/44/554673144.db2.gz QAXXBALSFDMBLS-YQXAMQIPSA-N 1 0 605.607 5.044 50 0 biogenic KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202836 554673264 /nfs/dbraw/zinc/67/32/64/554673264.db2.gz KBLHILREQNVSSP-AXGKCNHXSA-N 1 0 625.597 5.054 50 0 biogenic KKAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216115 554682684 /nfs/dbraw/zinc/68/26/84/554682684.db2.gz AZIVGKYPGOXYBR-GDLZYMKVSA-N 1 0 621.804 5.099 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216582 554684006 /nfs/dbraw/zinc/68/40/06/554684006.db2.gz QCJHFCOEPVAQCN-MUUNZHRXSA-N 1 0 610.155 5.031 50 0 KKAARO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216481 554684042 /nfs/dbraw/zinc/68/40/42/554684042.db2.gz PPDMSWCLAWDKFP-SSEXGKCCSA-N 1 0 633.214 5.802 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226193 554688688 /nfs/dbraw/zinc/68/86/88/554688688.db2.gz AUOGLTMBIUTBKX-FIRIVFDPSA-N 1 0 543.683 5.553 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1Cl ZINC000101254200 554694597 /nfs/dbraw/zinc/69/45/97/554694597.db2.gz RLMRHZGBIQIDEH-JOCHJYFZSA-N 1 0 549.524 5.065 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254872 554695789 /nfs/dbraw/zinc/69/57/89/554695789.db2.gz YGRXXCIXRXTHJM-MUUNZHRXSA-N 1 0 610.611 5.532 50 0 KKAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000101313908 554722539 /nfs/dbraw/zinc/72/25/39/554722539.db2.gz IIHJBXSRVGUWPK-UHFFFAOYSA-N 1 0 577.173 5.234 50 0 KKAARO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000101341572 554735600 /nfs/dbraw/zinc/73/56/00/554735600.db2.gz KUGOJTZHVXDPIL-IADCTJSHSA-N 1 0 569.768 5.072 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372269 554744692 /nfs/dbraw/zinc/74/46/92/554744692.db2.gz FSGMLNMETZSIQU-SXBRIOAWSA-N 1 0 543.683 6.424 50 0 KKAARO CC1CC[NH+](CCCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000101372826 554745139 /nfs/dbraw/zinc/74/51/39/554745139.db2.gz ZFAQROZCZGHXCM-OFWBYEQRSA-N 1 0 543.708 6.358 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386159 554751242 /nfs/dbraw/zinc/75/12/42/554751242.db2.gz GJSVJJZDFSNHED-BFGHFXMOSA-N 1 0 605.827 7.058 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386175 554751432 /nfs/dbraw/zinc/75/14/32/554751432.db2.gz IRTMCEUDIVAEBN-BFGHFXMOSA-N 1 0 606.815 6.199 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386228 554751538 /nfs/dbraw/zinc/75/15/38/554751538.db2.gz XAPJFJSMPHQWMJ-PZSMLTKBSA-N 1 0 647.864 6.575 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000101416721 554765515 /nfs/dbraw/zinc/76/55/15/554765515.db2.gz HRLZBIRAMYKGPQ-LDLOPFEMSA-N 1 0 547.696 5.537 50 0 KKAARO Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101419386 554766941 /nfs/dbraw/zinc/76/69/41/554766941.db2.gz OEIPDKDJYDLMOY-UHFFFAOYSA-N 1 0 549.094 5.067 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101425029 554768245 /nfs/dbraw/zinc/76/82/45/554768245.db2.gz UDSBQEPYPQZNIZ-YRRMYEEHSA-N 1 0 616.831 6.531 50 0 KKAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440902 554773112 /nfs/dbraw/zinc/77/31/12/554773112.db2.gz VSAJXGMHCYGSDG-UHFFFAOYSA-N 1 0 619.553 5.135 50 0 KKAARO CC(=O)Nc1c2c(C)c(C)sc2n2c1C(=O)N(CCC[NH+]1CCCCC1)[C@](C)(C(=O)NC1CCCCCC1)C2 ZINC000101489737 554785831 /nfs/dbraw/zinc/78/58/31/554785831.db2.gz VPYVLJJWAZVEAY-PMERELPUSA-N 1 0 555.789 5.208 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506523 554790426 /nfs/dbraw/zinc/79/04/26/554790426.db2.gz NIHYNGUITOSPAO-QTNJUIBESA-N 1 0 567.799 7.366 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc3)C2=O)c1 ZINC000101506549 554790445 /nfs/dbraw/zinc/79/04/45/554790445.db2.gz DXLQYOWZKHRQTH-JWHWKPFMSA-N 1 0 573.737 6.992 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000101507056 554791152 /nfs/dbraw/zinc/79/11/52/554791152.db2.gz MLELMVZRPINDNJ-PMERELPUSA-N 1 0 589.777 5.546 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000101507855 554791543 /nfs/dbraw/zinc/79/15/43/554791543.db2.gz QGBFDVONOCOSPV-FKAPRUDGSA-N 1 0 599.179 5.361 50 0 KKAARO Cc1c(C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000101588639 554801654 /nfs/dbraw/zinc/80/16/54/554801654.db2.gz UVMNNYNEGQVOEV-UHFFFAOYSA-N 1 0 551.735 5.466 50 0 KKAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617756 554806390 /nfs/dbraw/zinc/80/63/90/554806390.db2.gz MRCUCPRDJPJKLX-KYJUHHDHSA-N 1 0 545.749 6.516 50 0 KKAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000101634039 554812484 /nfs/dbraw/zinc/81/24/84/554812484.db2.gz OKXWLECZBLCPJG-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO CSc1nn2c(nc(C)cc2N2CC[NH+]=C(NC(C)(C)CC(C)(C)C)[C@@H]2C)c1S(=O)(=O)c1ccccc1 ZINC000101729864 554833243 /nfs/dbraw/zinc/83/32/43/554833243.db2.gz VRDQLSLUILGUTR-IBGZPJMESA-N 1 0 542.775 5.004 50 0 KKAARO O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000101858143 554843991 /nfs/dbraw/zinc/84/39/91/554843991.db2.gz OINHESYYRPLJTO-MUAVYFROSA-N 1 0 586.102 6.185 50 0 KKAARO Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)NCc3nnc(-c4ccccc4)o3)CC2)c1C ZINC000101896950 554847129 /nfs/dbraw/zinc/84/71/29/554847129.db2.gz XCMPCNIVPYAZLJ-UHFFFAOYSA-N 1 0 593.753 6.099 50 0 KKAARO COc1cc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc(OC)c1OC ZINC000101975956 554862812 /nfs/dbraw/zinc/86/28/12/554862812.db2.gz KCYDPBMBFFUBTM-VWLOTQADSA-N 1 0 537.638 5.189 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101978791 554863419 /nfs/dbraw/zinc/86/34/19/554863419.db2.gz RKNHBRWTSPBISK-XZWHSSHBSA-N 1 0 579.210 5.975 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1cccc(Br)c1 ZINC000102047882 554870495 /nfs/dbraw/zinc/87/04/95/554870495.db2.gz MGALWGGKBLXOJF-UHFFFAOYSA-N 1 0 538.534 5.384 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096306 554879446 /nfs/dbraw/zinc/87/94/46/554879446.db2.gz LRLFKNQGLFKLBZ-GGXMVOPNSA-N 1 0 576.625 8.047 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099488 554881164 /nfs/dbraw/zinc/88/11/64/554881164.db2.gz XYWXOMDWPDAYOM-JOCHJYFZSA-N 1 0 542.455 5.545 50 0 KKAARO CC(C)C[NH+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=S)Nc1cc(F)cc(F)c1)CC(C)C ZINC000102103466 554882008 /nfs/dbraw/zinc/88/20/08/554882008.db2.gz MYIYEULOQRGWHS-UHFFFAOYSA-N 1 0 561.186 7.671 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)CC(C)C ZINC000102103565 554882083 /nfs/dbraw/zinc/88/20/83/554882083.db2.gz IUQAAMRGDNOGLP-QQXSKIMKSA-N 1 0 547.687 6.306 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000102102928 554882084 /nfs/dbraw/zinc/88/20/84/554882084.db2.gz HSNCVHLMCFLWFX-UHFFFAOYSA-N 1 0 540.510 7.343 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129997 554884883 /nfs/dbraw/zinc/88/48/83/554884883.db2.gz NREJDIFQLLGVIE-UHFFFAOYSA-N 1 0 606.211 6.591 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000102130060 554884931 /nfs/dbraw/zinc/88/49/31/554884931.db2.gz OYUCBXIVAINNQQ-UHFFFAOYSA-N 1 0 635.253 6.199 50 0 KKAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130297 554885276 /nfs/dbraw/zinc/88/52/76/554885276.db2.gz LBOHVNPPIYAMTB-UHFFFAOYSA-N 1 0 601.792 5.946 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136026 554887758 /nfs/dbraw/zinc/88/77/58/554887758.db2.gz PFYCXLBTXSSNCF-QDPGVEIFSA-N 1 0 541.589 5.531 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(Br)cc1)=N2 ZINC000102244055 554903303 /nfs/dbraw/zinc/90/33/03/554903303.db2.gz XDSOBLJWVHXUHY-UHFFFAOYSA-N 1 0 533.923 5.796 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000102265607 554905367 /nfs/dbraw/zinc/90/53/67/554905367.db2.gz TYNHJOGCEKKWMU-NAKRPHOHSA-N 1 0 538.742 6.139 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102332650 554912667 /nfs/dbraw/zinc/91/26/67/554912667.db2.gz OWMKXXYJYLARCJ-QPQHGXMVSA-N 1 0 518.701 6.205 50 0 KKAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc1OC ZINC000102339950 554913150 /nfs/dbraw/zinc/91/31/50/554913150.db2.gz DVSDHOLUBSYKLH-FQEVSTJZSA-N 1 0 567.608 5.272 50 0 KKAARO CC(C)OC(=O)[C@@H]1OP(=O)(OC(c2ccccc2)(c2ccccc2)C23CC[NH+](CC2)CC3)O[C@H]1C(=O)OC(C)C ZINC000102347389 554913444 /nfs/dbraw/zinc/91/34/44/554913444.db2.gz AFXPHJANXRXQPI-CLJLJLNGSA-N 1 0 571.607 5.228 50 0 KKAARO COc1ccccc1CCNC(=O)CC[C@H]1C[N@@H+](C(C)C)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102379664 554918249 /nfs/dbraw/zinc/91/82/49/554918249.db2.gz GEBNNZVFDIOMKW-LBNVMWSVSA-N 1 0 560.705 5.074 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c3c(c(-c4ccccc4)nn3-c3ccccc3)c2n(C)c1C[NH+]1CCCCC1 ZINC000102400033 554919521 /nfs/dbraw/zinc/91/95/21/554919521.db2.gz AGQPLELIOXMVEF-UHFFFAOYSA-N 1 0 550.659 6.272 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000102414023 554924313 /nfs/dbraw/zinc/92/43/13/554924313.db2.gz PYYPOXFHMHPETR-UHFFFAOYSA-N 1 0 540.042 6.250 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000102454732 554934039 /nfs/dbraw/zinc/93/40/39/554934039.db2.gz QBDYNSSSZNIQSX-GEEJYJCBSA-N 1 0 565.695 6.216 50 0 KKAARO Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000102476824 554936886 /nfs/dbraw/zinc/93/68/86/554936886.db2.gz LNFCRGZTLKJYGD-UHFFFAOYSA-N 1 0 537.626 6.005 50 0 KKAARO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000102524807 554951672 /nfs/dbraw/zinc/95/16/72/554951672.db2.gz KUACFDRJIHBCCM-JVUXQOOBSA-N 1 0 589.846 5.716 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102530563 554953616 /nfs/dbraw/zinc/95/36/16/554953616.db2.gz MHKOVORKDBZYRI-PMERELPUSA-N 1 0 590.746 5.014 50 0 KKAARO CCCC[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579828 554971987 /nfs/dbraw/zinc/97/19/87/554971987.db2.gz YWOKLFHAWNPHQD-WBCKFURZSA-N 1 0 584.787 10.131 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579821 554972052 /nfs/dbraw/zinc/97/20/52/554972052.db2.gz OKXMUDDQHRYMDB-LDLOPFEMSA-N 1 0 621.602 9.630 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1=O ZINC000102611979 554981771 /nfs/dbraw/zinc/98/17/71/554981771.db2.gz SQYMKXGIKMRADT-KSUGPUBOSA-N 1 0 553.772 6.773 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629857 554989057 /nfs/dbraw/zinc/98/90/57/554989057.db2.gz QBDYNSSSZNIQSX-OZTMZFPKSA-N 1 0 565.695 6.216 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679322 555005011 /nfs/dbraw/zinc/00/50/11/555005011.db2.gz YDJCLCDTEXPCQE-AREMUKBSSA-N 1 0 556.103 5.284 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102720010 555019890 /nfs/dbraw/zinc/01/98/90/555019890.db2.gz URFNQMGOQKRVMA-YPJAJYNUSA-N 1 0 557.735 6.604 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771925 555060931 /nfs/dbraw/zinc/06/09/31/555060931.db2.gz YDMHJTGPBURAJV-UHFFFAOYSA-N 1 0 602.779 7.792 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780075 555065403 /nfs/dbraw/zinc/06/54/03/555065403.db2.gz CLLZPIUZJCWBOZ-QMFOPCRCSA-N 1 0 532.109 6.234 50 0 KKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000102787649 555068014 /nfs/dbraw/zinc/06/80/14/555068014.db2.gz FDCDEYBFAKZGDW-IGKMFZNPSA-N 1 0 585.789 7.669 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787859 555068294 /nfs/dbraw/zinc/06/82/94/555068294.db2.gz SASQWMFCFJWEBY-VQNDASPWSA-N 1 0 573.762 7.069 50 0 KKAARO CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936870 555164861 /nfs/dbraw/zinc/16/48/61/555164861.db2.gz YKZOTUBVQFVUAC-NDEPHWFRSA-N 1 0 548.684 5.135 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103022013 555213359 /nfs/dbraw/zinc/21/33/59/555213359.db2.gz VIAUEWDTMOYEQE-AREMUKBSSA-N 1 0 536.072 5.559 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103024783 555215063 /nfs/dbraw/zinc/21/50/63/555215063.db2.gz QUPMTTYQXJHXPO-UHFFFAOYSA-N 1 0 595.632 6.659 50 0 KKAARO CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@@H]([C@@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000103047106 555228807 /nfs/dbraw/zinc/22/88/07/555228807.db2.gz SFFJARIKISDPGV-GEIIOTBESA-N 1 0 534.660 5.738 50 0 KKAARO Cc1ccc(-n2nc(-c3cccs3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(Cl)c2)cc1 ZINC000103059736 555240097 /nfs/dbraw/zinc/24/00/97/555240097.db2.gz QTODDOOFHJJVDZ-NDEPHWFRSA-N 1 0 580.179 5.410 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(OC)c1 ZINC000103065011 555245668 /nfs/dbraw/zinc/24/56/68/555245668.db2.gz VYUPOJCZSUBFBT-UHFFFAOYSA-N 1 0 552.546 7.357 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000103068830 555249519 /nfs/dbraw/zinc/24/95/19/555249519.db2.gz GTOJOTBGUDHPAO-WOGQQFDQSA-N 1 0 601.835 8.417 50 0 KKAARO COc1ccc(CCN(Cc2nc(C(=O)N3CCC(C)CC3)cs2)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000103122471 555291143 /nfs/dbraw/zinc/29/11/43/555291143.db2.gz XLYWFXWAHUZIDW-UHFFFAOYSA-N 1 0 549.781 6.575 50 0 KKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CC[NH+]([C@@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000103129276 555297736 /nfs/dbraw/zinc/29/77/36/555297736.db2.gz DCQOJPJDONNMCF-IAPPQJPRSA-N 1 0 536.701 5.079 50 0 KKAARO COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2cccc(C)c2)c1 ZINC000103252819 555344339 /nfs/dbraw/zinc/34/43/39/555344339.db2.gz AWUAKZYHPMYJGI-UHFFFAOYSA-N 1 0 546.071 5.152 50 0 KKAARO Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)cc(C)c1Cl ZINC000103261541 555347021 /nfs/dbraw/zinc/34/70/21/555347021.db2.gz IGBHLWCKVUXSMN-LJAQVGFWSA-N 1 0 625.165 7.002 50 0 KKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3cccc(Oc4ccccc4)c3)c3ccccc32)cc1 ZINC000103421183 555401906 /nfs/dbraw/zinc/40/19/06/555401906.db2.gz KCOFFWSIPBRFHL-UUWRZZSWSA-N 1 0 557.738 7.524 50 0 KKAARO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103427966 555409906 /nfs/dbraw/zinc/40/99/06/555409906.db2.gz AGRSGNUUBCOKQB-UHFFFAOYSA-N 1 0 582.506 5.374 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1)NCC[NH+]1CCCC1 ZINC000103429973 555412635 /nfs/dbraw/zinc/41/26/35/555412635.db2.gz XGGBDBCINDOCAU-VWLOTQADSA-N 1 0 554.056 7.096 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000103549672 555442781 /nfs/dbraw/zinc/44/27/81/555442781.db2.gz XHNANQNDMBCSAA-FAIXQHPJSA-N 1 0 570.740 9.504 50 0 KKAARO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103689768 555462548 /nfs/dbraw/zinc/46/25/48/555462548.db2.gz SZPXDUXKOUOUOC-BOKUVRCSSA-N 1 0 561.707 5.108 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288020 571361516 /nfs/dbraw/zinc/36/15/16/571361516.db2.gz GCVAVYPQFCUTGS-JWXXLELASA-N 1 0 584.672 6.466 50 0 KKAARO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103528701 571361712 /nfs/dbraw/zinc/36/17/12/571361712.db2.gz STOAPNMOTXHAIM-ACZXLBTNSA-N 1 0 556.618 5.686 50 0 KKAARO CN1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000104002325 571370944 /nfs/dbraw/zinc/37/09/44/571370944.db2.gz IINNLHMEXIRRSF-YAUXARCYSA-N 1 0 595.393 8.497 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000104147793 571375189 /nfs/dbraw/zinc/37/51/89/571375189.db2.gz SEXXIVHIGBPBEK-ITOWZWGRSA-N 1 0 551.131 5.202 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000104147815 571375198 /nfs/dbraw/zinc/37/51/98/571375198.db2.gz KSEILDOPDXTUFS-ITOWZWGRSA-N 1 0 551.131 5.202 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000105022708 571389478 /nfs/dbraw/zinc/38/94/78/571389478.db2.gz SJICJDFQSJIVDR-GPNASLBKSA-N 1 0 508.637 6.366 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105041441 571390130 /nfs/dbraw/zinc/39/01/30/571390130.db2.gz QUHIANOGRRULSF-LBNVMWSVSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042227 571390258 /nfs/dbraw/zinc/39/02/58/571390258.db2.gz CNTXCCWOMMLYHD-YIXXDRMTSA-N 1 0 516.579 6.760 50 0 KKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000105046465 571390419 /nfs/dbraw/zinc/39/04/19/571390419.db2.gz GLMDYCBUKYPIDM-FCHUYYIVSA-N 1 0 504.955 6.420 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCC[NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915412 571443893 /nfs/dbraw/zinc/44/38/93/571443893.db2.gz HIHOWBSBBDRPDW-RTYCRPBZSA-N 1 0 500.812 7.684 50 0 KKAARO OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC000137007683 571449981 /nfs/dbraw/zinc/44/99/81/571449981.db2.gz PEXKQIRWOQILJN-UHFFFAOYSA-N 1 0 605.022 8.588 50 0 KKAARO C=CC(=O)N1CCC[C@@H]1Cn1c2ccc(C[NH2+][C@@H](C)C(C)(C)C)cc2nc1NC(=O)c1ccc(C(F)F)s1 ZINC000146033937 571456611 /nfs/dbraw/zinc/45/66/11/571456611.db2.gz NXTKFBGDLDPFLB-PKOBYXMFSA-N 1 0 543.684 5.989 50 0 in-vitro KKAARO CCCC[C@H]1Oc2ccccc2[C@@H]1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000150339760 571457642 /nfs/dbraw/zinc/45/76/42/571457642.db2.gz YOBBAFJNSYRSGE-PKTZIBPZSA-N 1 0 647.335 6.534 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389134 571471554 /nfs/dbraw/zinc/47/15/54/571471554.db2.gz OTWKJWLEJMLOOS-LFIBNONCSA-N 1 0 642.114 9.299 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(OC)c(OC)c4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389225 571471660 /nfs/dbraw/zinc/47/16/60/571471660.db2.gz ZEJVLLONXANWDZ-CPNJWEJPSA-N 1 0 695.775 9.307 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390587 571472906 /nfs/dbraw/zinc/47/29/06/571472906.db2.gz NDWMCSQZLFYRPI-PMERELPUSA-N 1 0 648.229 5.056 50 0 KKAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)c(/C=C/C1=C/C(=C/C=C3\C=CN(CC)c4ccc(S(=O)(=O)N(CC)CC)cc43)COC1)cc[n+]2CC ZINC000150396635 571476608 /nfs/dbraw/zinc/47/66/08/571476608.db2.gz FUTXPUKBBFNERB-UHFFFAOYSA-N 1 0 717.978 6.542 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414327 571485173 /nfs/dbraw/zinc/48/51/73/571485173.db2.gz GJMZZOIHKBOMPD-SSEXGKCCSA-N 1 0 638.209 5.811 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414622 571485175 /nfs/dbraw/zinc/48/51/75/571485175.db2.gz ZGQCYVMPHDUMDP-HKBQPEDESA-N 1 0 659.878 5.124 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414538 571485196 /nfs/dbraw/zinc/48/51/96/571485196.db2.gz AJDHOFHQNNIJHY-JGCGQSQUSA-N 1 0 657.837 5.195 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150418775 571486702 /nfs/dbraw/zinc/48/67/02/571486702.db2.gz IGLWTZITVZSIEF-PMERELPUSA-N 1 0 678.255 5.064 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)cc3)C2=O)c1 ZINC000150437836 571496845 /nfs/dbraw/zinc/49/68/45/571496845.db2.gz KWPFKCBYNRQFGG-HBAMXUDRSA-N 1 0 644.885 7.542 50 0 KKAARO Cc1sc2nc(CN(Cc3ccccc3C[NH+]3CCCC3)Cc3nc4sc(C)c(-c5ccc(C)cc5)c4c(=O)[nH]3)[nH]c(=O)c2c1-c1ccc(C)cc1 ZINC000150449646 571502128 /nfs/dbraw/zinc/50/21/28/571502128.db2.gz UTERPAJJHNWGGF-UHFFFAOYSA-N 1 0 726.972 8.648 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000150458945 571505505 /nfs/dbraw/zinc/50/55/05/571505505.db2.gz ZVDYAAKBZXORKX-XSVYLIDLSA-N 1 0 641.599 6.902 50 0 KKAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000150522463 571520134 /nfs/dbraw/zinc/52/01/34/571520134.db2.gz TZBJSKJBOIGZBE-JUKUECOXSA-N 1 0 643.788 5.473 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631402 571524112 /nfs/dbraw/zinc/52/41/12/571524112.db2.gz NFKZAYGAZSLISU-ISVMRZDUSA-N 1 0 767.400 8.019 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000150639356 571524606 /nfs/dbraw/zinc/52/46/06/571524606.db2.gz HKBHXZSLPKDQER-LPYNTBEWSA-N 1 0 688.879 8.203 50 0 KKAARO CC[C@H](C(=O)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2OC)C1)c1ccccc1 ZINC000169677613 571554995 /nfs/dbraw/zinc/55/49/95/571554995.db2.gz OORDXFYBIWXKGQ-GCRSFRQPSA-N 1 0 510.722 6.386 50 0 KKAARO O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677728 571555260 /nfs/dbraw/zinc/55/52/60/571555260.db2.gz CHRHPKPBYVNEJL-GJZUVCINSA-N 1 0 515.526 5.528 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679813 571556460 /nfs/dbraw/zinc/55/64/60/571556460.db2.gz WMWYVHAYEHDZTQ-LITSAYRRSA-N 1 0 526.618 7.167 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679786 571556522 /nfs/dbraw/zinc/55/65/22/571556522.db2.gz NNXCOQQFPCDIQP-YWEHKCAJSA-N 1 0 514.563 6.117 50 0 KKAARO O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000169679951 571556736 /nfs/dbraw/zinc/55/67/36/571556736.db2.gz CXPHXTMJGUBBCI-NSJVFKKDSA-N 1 0 522.645 5.915 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680889 571557189 /nfs/dbraw/zinc/55/71/89/571557189.db2.gz QXXSAVXKVKGEHG-DLLPINGYSA-N 1 0 579.832 5.613 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680919 571557546 /nfs/dbraw/zinc/55/75/46/571557546.db2.gz GYRPANCBDYEPOZ-BNHRFMORSA-N 1 0 537.729 5.920 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169681591 571557576 /nfs/dbraw/zinc/55/75/76/571557576.db2.gz RDXPOVJIZRZKQZ-LEAFIULHSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680918 571557586 /nfs/dbraw/zinc/55/75/86/571557586.db2.gz GYRPANCBDYEPOZ-NRUKRWIHSA-N 1 0 537.729 5.920 50 0 KKAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681939 571557759 /nfs/dbraw/zinc/55/77/59/571557759.db2.gz PSYPOUXRHNSNTM-UPVQGACJSA-N 1 0 503.952 5.131 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169775417 571560282 /nfs/dbraw/zinc/56/02/82/571560282.db2.gz RJNLJTQALKHTPY-LEUQSAOGSA-N 1 0 557.710 5.799 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)occ3-c1ccc(F)cc1 ZINC000170613398 571561946 /nfs/dbraw/zinc/56/19/46/571561946.db2.gz NKGBULQLZAQTFL-FNZWTVRRSA-N 1 0 502.586 5.577 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613402 571561972 /nfs/dbraw/zinc/56/19/72/571561972.db2.gz XVXNJUKXGMYQSQ-DWACAAAGSA-N 1 0 547.095 6.790 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000198701269 571568545 /nfs/dbraw/zinc/56/85/45/571568545.db2.gz QAKUABRXDRDPFA-NRFANRHFSA-N 1 0 598.177 6.720 50 0 KKAARO CCC[NH+](CCC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225401745 571771399 /nfs/dbraw/zinc/77/13/99/571771399.db2.gz VDXHCKMKWHECCU-RNBBJCFKSA-N 1 0 614.787 5.139 50 0 biogenic KKAARO C[NH+]1CCN(c2nc3cc(Cl)ccc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)CC1 ZINC000225565080 571927022 /nfs/dbraw/zinc/92/70/22/571927022.db2.gz RESNCZUNPJAMBM-UHFFFAOYSA-N 1 0 575.543 8.843 50 0 KKAARO CCCC[NH+](CCCC)CCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261491956 572110451 /nfs/dbraw/zinc/11/04/51/572110451.db2.gz MRRIORGZYVILNF-UHFFFAOYSA-N 1 0 502.534 6.682 50 0 KKAARO Fc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492633 572110875 /nfs/dbraw/zinc/11/08/75/572110875.db2.gz WACLLXCFSTWRCK-UHFFFAOYSA-N 1 0 535.052 5.034 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)cs3)n2)c(OC)c1 ZINC000226816799 572141871 /nfs/dbraw/zinc/14/18/71/572141871.db2.gz RXGUCKFJONMYEH-IERDGZPVSA-N 1 0 549.619 5.026 50 0 KKAARO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C[C@@H]2CC)cc1 ZINC000229865870 572162209 /nfs/dbraw/zinc/16/22/09/572162209.db2.gz KQLDASGMVSYSES-RLOMXOEUSA-N 1 0 628.810 6.895 50 0 biogenic KKAARO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230000479 572177743 /nfs/dbraw/zinc/17/77/43/572177743.db2.gz STOAPNMOTXHAIM-SOOJPDKZSA-N 1 0 556.618 5.686 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000245238016 572211531 /nfs/dbraw/zinc/21/15/31/572211531.db2.gz CTAJWSNPWCGOIY-LILGSFCHSA-N 1 0 532.015 5.045 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281325 572225324 /nfs/dbraw/zinc/22/53/24/572225324.db2.gz XFOAKDYXTUUMFD-KCWPFWIISA-N 1 0 515.595 6.197 50 0 KKAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1OC ZINC000245309687 572227438 /nfs/dbraw/zinc/22/74/38/572227438.db2.gz FLHKCCSOWHLZHB-NSOVKSMOSA-N 1 0 509.650 6.117 50 0 KKAARO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459537 572242184 /nfs/dbraw/zinc/24/21/84/572242184.db2.gz AIWYYYCARYHFNE-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465558 572242605 /nfs/dbraw/zinc/24/26/05/572242605.db2.gz CLSFPNBTWDUAFM-NRFANRHFSA-N 1 0 551.916 6.012 50 0 KKAARO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520223 572242905 /nfs/dbraw/zinc/24/29/05/572242905.db2.gz XDXKPCHNAYDVIP-QGZVFWFLSA-N 1 0 541.852 6.431 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521098 572242988 /nfs/dbraw/zinc/24/29/88/572242988.db2.gz XJAXTKHHAOUVRO-HXUWFJFHSA-N 1 0 521.434 5.456 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247742900 572243986 /nfs/dbraw/zinc/24/39/86/572243986.db2.gz OPYPFEKLSGKYMJ-QFIPXVFZSA-N 1 0 539.477 6.792 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844060 572245886 /nfs/dbraw/zinc/24/58/86/572245886.db2.gz GJVFSMLZEQNNMY-HSZRJFAPSA-N 1 0 596.990 6.606 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247843923 572245938 /nfs/dbraw/zinc/24/59/38/572245938.db2.gz GGSRWZRZRFUYOE-JOCHJYFZSA-N 1 0 576.514 5.488 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840036 572246055 /nfs/dbraw/zinc/24/60/55/572246055.db2.gz FBBBCXJDCSHISH-NRFANRHFSA-N 1 0 550.053 5.518 50 0 KKAARO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859878 572246596 /nfs/dbraw/zinc/24/65/96/572246596.db2.gz FLEKPJOCEPAEQM-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868727 572247106 /nfs/dbraw/zinc/24/71/06/572247106.db2.gz KFTKQTUFVJDYIC-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877321 572248129 /nfs/dbraw/zinc/24/81/29/572248129.db2.gz PMCYWPUHFDUGMA-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881354 572248144 /nfs/dbraw/zinc/24/81/44/572248144.db2.gz VSTNZVKJBSORHU-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883237 572248242 /nfs/dbraw/zinc/24/82/42/572248242.db2.gz CPRRMBIJIPEBQQ-QFIPXVFZSA-N 1 0 517.471 5.625 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886027 572248426 /nfs/dbraw/zinc/24/84/26/572248426.db2.gz XASKZFJFCPBLEN-QFIPXVFZSA-N 1 0 532.063 5.379 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894842 572248701 /nfs/dbraw/zinc/24/87/01/572248701.db2.gz OHAIOGMPTPMDOG-QHCPKHFHSA-N 1 0 503.046 5.275 50 0 KKAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948245 572250311 /nfs/dbraw/zinc/25/03/11/572250311.db2.gz XGINBDOLEJQQDD-QFIPXVFZSA-N 1 0 517.471 5.625 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247965148 572250986 /nfs/dbraw/zinc/25/09/86/572250986.db2.gz XATDTIHUKUFJHF-CUBQBAPOSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991614 572251476 /nfs/dbraw/zinc/25/14/76/572251476.db2.gz MXMCPJURABYYMV-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988390 572251524 /nfs/dbraw/zinc/25/15/24/572251524.db2.gz JJRCCTFTUSETBN-FQEVSTJZSA-N 1 0 542.511 5.121 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991699 572251609 /nfs/dbraw/zinc/25/16/09/572251609.db2.gz KORTZXONCHZICR-NRFANRHFSA-N 1 0 542.511 5.121 50 0 KKAARO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000248004381 572251842 /nfs/dbraw/zinc/25/18/42/572251842.db2.gz SGVWOOUXZZGSKK-UPOHCCNUSA-N 1 0 565.456 6.975 50 0 KKAARO Cc1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248004565 572251900 /nfs/dbraw/zinc/25/19/00/572251900.db2.gz VAKRVSMYMAZURM-UHFFFAOYSA-N 1 0 503.444 5.947 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248012040 572252351 /nfs/dbraw/zinc/25/23/51/572252351.db2.gz JGIYYOLCDWVHMV-XTEPFMGCSA-N 1 0 504.556 5.361 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248077875 572253242 /nfs/dbraw/zinc/25/32/42/572253242.db2.gz IYXQGTVXRXKXOE-SUYBVONHSA-N 1 0 529.750 5.649 50 0 KKAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086067 572253326 /nfs/dbraw/zinc/25/33/26/572253326.db2.gz KEFBMZZMVLUURB-JOCHJYFZSA-N 1 0 517.471 5.625 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093338 572253368 /nfs/dbraw/zinc/25/33/68/572253368.db2.gz HQAQLDQKVYVYTP-SANMLTNESA-N 1 0 542.127 5.607 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089908 572253454 /nfs/dbraw/zinc/25/34/54/572253454.db2.gz MIOIMFUAKFSCJR-PWUYWRBVSA-N 1 0 509.760 5.671 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099149 572253569 /nfs/dbraw/zinc/25/35/69/572253569.db2.gz JCJIPFFRMYUZOL-AREMUKBSSA-N 1 0 542.127 5.607 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114884 572253953 /nfs/dbraw/zinc/25/39/53/572253953.db2.gz UMDXQFSJIDKGJV-FIBWVYCGSA-N 1 0 501.114 7.339 50 0 KKAARO COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000248132596 572254682 /nfs/dbraw/zinc/25/46/82/572254682.db2.gz LOLZTPKNQFAKPE-YRAGKPRHSA-N 1 0 561.037 6.330 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132984 572254793 /nfs/dbraw/zinc/25/47/93/572254793.db2.gz BPFBNZZXKCDZEN-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000248140447 572255270 /nfs/dbraw/zinc/25/52/70/572255270.db2.gz PMLQCFRCIHRQEF-FUABUCQOSA-N 1 0 544.582 5.816 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000248146188 572255509 /nfs/dbraw/zinc/25/55/09/572255509.db2.gz SJPVAXGBPOKESA-HATVSKDLSA-N 1 0 586.644 5.694 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149074 572255608 /nfs/dbraw/zinc/25/56/08/572255608.db2.gz IZDXSWVXMTVZCC-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000248327860 572257964 /nfs/dbraw/zinc/25/79/64/572257964.db2.gz AQGKXMYBXMXQKH-NWNGWGBKSA-N 1 0 533.753 5.751 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248323287 572258026 /nfs/dbraw/zinc/25/80/26/572258026.db2.gz XOOCRHPVAVPKRB-QCENPCRXSA-N 1 0 576.619 5.538 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248329687 572258166 /nfs/dbraw/zinc/25/81/66/572258166.db2.gz DSFLXWSYLKLABO-PEMRLZPOSA-N 1 0 556.460 5.081 50 0 KKAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692761 572258732 /nfs/dbraw/zinc/25/87/32/572258732.db2.gz MZKBTWWZHPSQAJ-MUUNZHRXSA-N 1 0 521.709 5.202 50 0 KKAARO CCCCC[N@@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800750 572258816 /nfs/dbraw/zinc/25/88/16/572258816.db2.gz NCFFNJNNMLKHOL-NLVFCZGTSA-N 1 0 609.723 5.376 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975188 572259631 /nfs/dbraw/zinc/25/96/31/572259631.db2.gz DEDUOBRMIYYFDG-MUUNZHRXSA-N 1 0 551.735 5.216 50 0 KKAARO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011065 572259645 /nfs/dbraw/zinc/25/96/45/572259645.db2.gz SBTGKISUTXKMIF-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000252006914 572259653 /nfs/dbraw/zinc/25/96/53/572259653.db2.gz PJAKLDZWFIABNU-IPMXHECSSA-N 1 0 556.460 5.026 50 0 KKAARO CCc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000252023378 572259794 /nfs/dbraw/zinc/25/97/94/572259794.db2.gz ZWCXQNMUOOGXNA-UHFFFAOYSA-N 1 0 517.471 6.201 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@H]3CC[C@@H]1[C@]2(C)O ZINC000252428373 572260532 /nfs/dbraw/zinc/26/05/32/572260532.db2.gz AQGKXMYBXMXQKH-AZCXQPJGSA-N 1 0 533.753 5.751 50 0 KKAARO C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1cc(OC)c2c(c1OC)OCO2 ZINC000252488486 572261623 /nfs/dbraw/zinc/26/16/23/572261623.db2.gz ISYIVBDRRKYELA-UHFFFAOYSA-N 1 0 510.590 5.220 50 0 KKAARO CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000252517827 572262195 /nfs/dbraw/zinc/26/21/95/572262195.db2.gz SLSLNGFHWOQONH-HQMQMYHNSA-N 1 0 544.676 6.682 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585321 572264502 /nfs/dbraw/zinc/26/45/02/572264502.db2.gz HSEDMGOCZZYPGG-WIZOYOABSA-N 1 0 708.731 5.231 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4ccc(F)c(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252586342 572265336 /nfs/dbraw/zinc/26/53/36/572265336.db2.gz PHNNBMSMZUEJBY-WMWMJGJOSA-N 1 0 691.288 5.854 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252587102 572265924 /nfs/dbraw/zinc/26/59/24/572265924.db2.gz VPZSVEGKGKSXKT-NARDRGJYSA-N 1 0 604.836 5.105 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000253373774 572282136 /nfs/dbraw/zinc/28/21/36/572282136.db2.gz KBTBOHIOFMNNPB-FUABUCQOSA-N 1 0 560.675 6.519 50 0 KKAARO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479737 572289991 /nfs/dbraw/zinc/28/99/91/572289991.db2.gz RZQOIBNBFRAMJW-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Clc1ccc(CC[NH2+]Cc2nn(Cc3c(Cl)cccc3Cl)nc2-c2ccccc2)c(Cl)c1 ZINC000253490348 572291554 /nfs/dbraw/zinc/29/15/54/572291554.db2.gz IICALGMYGBKSJM-UHFFFAOYSA-N 1 0 506.264 6.939 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607301 572300882 /nfs/dbraw/zinc/30/08/82/572300882.db2.gz JIGQNJSRPRNCGE-MUUNZHRXSA-N 1 0 565.762 5.777 50 0 KKAARO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCc5nc6ccccc6[nH]5)[C@@]4(C)[C@@H](OC(C)=O)C[C@H]32)C1 ZINC000253614925 572301352 /nfs/dbraw/zinc/30/13/52/572301352.db2.gz KAGXMVQQPAECLR-KHCNLPSLSA-N 1 0 548.768 7.264 50 0 KKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350477 572321791 /nfs/dbraw/zinc/32/17/91/572321791.db2.gz XSWCEFIPJIPPPW-TVRYOFFOSA-N 1 0 573.906 9.718 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2csc(-c3ccccc3)n2)c1)Cc1cccc2cccnc21 ZINC000101854412 1069820887 /nfs/dbraw/zinc/82/08/87/1069820887.db2.gz YSQGDNOYWWXAIU-YTTGMZPUSA-N 1 0 590.793 7.383 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O ZINC000524729640 1069825532 /nfs/dbraw/zinc/82/55/32/1069825532.db2.gz BMZOANSNASNJKL-SETSBSEESA-N 1 0 556.703 6.105 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524734351 1069838179 /nfs/dbraw/zinc/83/81/79/1069838179.db2.gz VNYYKQSVMBBOAN-YBZKQSBQSA-N 1 0 583.216 7.864 50 0 KKAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c2ccccc12 ZINC000102170250 1069845216 /nfs/dbraw/zinc/84/52/16/1069845216.db2.gz OVDSDONBEACVRO-WNJJXGMVSA-N 1 0 572.105 5.322 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 ZINC000409414006 1069848703 /nfs/dbraw/zinc/84/87/03/1069848703.db2.gz MNCJWDFJLKVSSY-NEKDWFFYSA-N 1 0 548.724 5.707 50 0 KKAARO CCOc1cc(CN2CCN(c3cccc4c3C(=O)N(Cc3nc(-c5ccccc5)cs3)C4=O)CC2)ccc1OC ZINC000102634499 1069861426 /nfs/dbraw/zinc/86/14/26/1069861426.db2.gz UEKWZRZICWNIML-UHFFFAOYSA-N 1 0 568.699 5.336 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698834 1069862978 /nfs/dbraw/zinc/86/29/78/1069862978.db2.gz GQRNUYPINCYTPY-NDEPHWFRSA-N 1 0 537.660 6.059 50 0 KKAARO Cc1c(C[NH+]2CCC(n3c4ccc(C(F)(F)F)cc4nc3[C@H]3CCCO3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000102711284 1069865271 /nfs/dbraw/zinc/86/52/71/1069865271.db2.gz BFSDNKALOUVEJL-AREMUKBSSA-N 1 0 539.602 5.542 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C1\CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1Cl ZINC000685944252 1070939853 /nfs/dbraw/zinc/93/98/53/1070939853.db2.gz GUKADZRCXCMRKI-UHFFFAOYSA-N 1 0 568.253 9.029 50 0 KKAARO COc1cc2c(cc1SC)S/C(=C/C=C(/C=C/c1sc3cc(SC)c(OC)cc3[n+]1CCOc1ccccc1)OCCO)N2CCOc1ccccc1 ZINC000685944594 1070944323 /nfs/dbraw/zinc/94/43/23/1070944323.db2.gz XETAHHIKWDCFTK-UHFFFAOYSA-N 1 0 788.071 9.168 50 0 KKAARO C(/C=C\C=C/c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1)=C1/C=C(c2ccccc2)C=C(c2ccccc2)S1 ZINC000685944598 1070944407 /nfs/dbraw/zinc/94/44/07/1070944407.db2.gz FAANMETYNJTGMO-UHFFFAOYSA-N 1 0 561.795 11.688 50 0 KKAARO CCN1c2ccccc2N(c2ccccc2)/C1=C\C=C\C=C\c1n(-c2ccccc2)c2ccccc2[n+]1CC ZINC000685944667 1070945043 /nfs/dbraw/zinc/94/50/43/1070945043.db2.gz MIEUIYJKIAPRQU-UHFFFAOYSA-N 1 0 509.677 8.027 50 0 KKAARO CCN1c2ccccc2S/C1=C\C1=C2CCC3=C2[C@@H](CC1)CC/C3=C/c1sc2ccccc2[n+]1CC ZINC000685944759 1070945627 /nfs/dbraw/zinc/94/56/27/1070945627.db2.gz VQDIDBAAEIQMIG-UHFFFAOYSA-N 1 0 509.764 8.657 50 0 KKAARO CCN1c2ccccc2S/C1=C\C=C1\CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1C(=O)OC ZINC000685944486 1070941882 /nfs/dbraw/zinc/94/18/82/1070941882.db2.gz RATQADAIAUCKLO-UHFFFAOYSA-N 1 0 515.724 7.275 50 0 KKAARO CC[n+]1c(/C=C2/C=C(/C=C3\C=Cc4cc(C)ccc4N3CC)CC(C)(C)C2)sc2cc(SC)c(OC)cc21 ZINC000685944405 1070942973 /nfs/dbraw/zinc/94/29/73/1070942973.db2.gz IAFZWRKFCSWMDZ-UHFFFAOYSA-N 1 0 543.822 8.815 50 0 KKAARO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370235 1070962137 /nfs/dbraw/zinc/96/21/37/1070962137.db2.gz LIMKTMNBTIRLMK-OSZGUBSQSA-N 1 0 612.682 6.381 50 0 KKAARO CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370218 1070962201 /nfs/dbraw/zinc/96/22/01/1070962201.db2.gz GATDCOANDSLCMG-HATVSKDLSA-N 1 0 589.091 7.109 50 0 KKAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccc(Cl)cc1 ZINC000299771328 1071047958 /nfs/dbraw/zinc/04/79/58/1071047958.db2.gz YJLZNPCVMIFOHR-SMCANUKXSA-N 1 0 541.095 5.363 50 0 KKAARO Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)n1 ZINC000299787799 1071049366 /nfs/dbraw/zinc/04/93/66/1071049366.db2.gz QOEBJEPIHIIGQE-MUUNZHRXSA-N 1 0 550.147 5.326 50 0 KKAARO CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088489 1071055810 /nfs/dbraw/zinc/05/58/10/1071055810.db2.gz BXGUDOIYUCZSJM-AGTITRIOSA-N 1 0 648.845 5.214 50 0 KKAARO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCCCn2ccnc2)cc1 ZINC000026533485 1071157794 /nfs/dbraw/zinc/15/77/94/1071157794.db2.gz TVRKWRKTIXKGPC-LFVJCYFKSA-N 1 0 523.420 5.736 50 0 KKAARO O=C(NCc1nc2ccccc2s1)c1ccc(-c2csc3ccccc32)nc1N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000110186737 1071157983 /nfs/dbraw/zinc/15/79/83/1071157983.db2.gz HXJFTBKLSQSHDW-JOCHJYFZSA-N 1 0 597.810 6.176 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1Cc1cccc(Cl)c1 ZINC000032577600 1071189285 /nfs/dbraw/zinc/18/92/85/1071189285.db2.gz BBZNAHPMPPYHGV-FIBWVYCGSA-N 1 0 516.060 5.724 50 0 KKAARO C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815203 1071232093 /nfs/dbraw/zinc/23/20/93/1071232093.db2.gz HJGWNCKSBZGGQQ-HSZRJFAPSA-N 1 0 527.640 5.439 50 0 KKAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000011871892 1071232819 /nfs/dbraw/zinc/23/28/19/1071232819.db2.gz KUXGIANHOJWGKQ-UHFFFAOYSA-N 1 0 512.572 5.323 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012246357 1071240185 /nfs/dbraw/zinc/24/01/85/1071240185.db2.gz JVKNKOPNXQFBIQ-DEOSSOPVSA-N 1 0 525.678 5.507 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000230011459 1071247900 /nfs/dbraw/zinc/24/79/00/1071247900.db2.gz NIVHIMSOWHCRJM-XWSGIVAFSA-N 1 0 570.645 5.994 50 0 KKAARO COc1ccccc1/C=C\C[NH+](C/C=C\c1ccccc1OC)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000606442042 1071277232 /nfs/dbraw/zinc/27/72/32/1071277232.db2.gz ACEQBKFUPFNTRW-JMVMMLELSA-N 1 0 511.588 6.210 50 0 KKAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000200550254 1071290507 /nfs/dbraw/zinc/29/05/07/1071290507.db2.gz MOUFYMNKZKGNHK-FREGXXQWSA-N 1 0 532.688 5.901 50 0 KKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014752717 1072892056 /nfs/dbraw/zinc/89/20/56/1072892056.db2.gz KPSJDSFQCPUEBT-UHFFFAOYSA-N 1 0 510.638 5.157 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1)Cc1cccc2ncccc12 ZINC000014994857 1072894954 /nfs/dbraw/zinc/89/49/54/1072894954.db2.gz LRVLREOHUPIBEV-UHFFFAOYSA-N 1 0 531.660 5.941 50 0 KKAARO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000019842440 1072897539 /nfs/dbraw/zinc/89/75/39/1072897539.db2.gz YMMLPGYLCXULKZ-NRFANRHFSA-N 1 0 532.637 5.027 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1 ZINC000000696182 551528079 /nfs/dbraw/zinc/52/80/79/551528079.db2.gz PYCCHVYWDRXERJ-UHFFFAOYSA-N 1 0 572.544 5.725 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000001322861 551642131 /nfs/dbraw/zinc/64/21/31/551642131.db2.gz YPKMITBMJOBYFE-LJAQVGFWSA-N 1 0 514.622 5.812 50 0 biogenic KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001785123 551699123 /nfs/dbraw/zinc/69/91/23/551699123.db2.gz JNXLCEGHPQIFQH-UHFFFAOYSA-N 1 0 591.985 8.238 50 0 KKAARO Cc1ccc(N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001834451 551712040 /nfs/dbraw/zinc/71/20/40/551712040.db2.gz IKCFXCYNCXZCAW-LJAQVGFWSA-N 1 0 500.664 5.254 50 0 KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)C1=O ZINC000002102373 551762543 /nfs/dbraw/zinc/76/25/43/551762543.db2.gz QVGDYEKEFSCDOK-IZEXYCQBSA-N 1 0 530.713 5.154 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002120961 551770690 /nfs/dbraw/zinc/77/06/90/551770690.db2.gz OHZSLZJTZMBORH-DHIFEGFHSA-N 1 0 530.713 5.154 50 0 biogenic KKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002780969 552188511 /nfs/dbraw/zinc/18/85/11/552188511.db2.gz QVSHBUCERKKPFZ-UHFFFAOYSA-N 1 0 523.519 5.096 50 0 KKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912918 552215310 /nfs/dbraw/zinc/21/53/10/552215310.db2.gz KHQPXNQBVRANJA-UHFFFAOYSA-N 1 0 520.098 6.257 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000002964720 552235858 /nfs/dbraw/zinc/23/58/58/552235858.db2.gz XXKQWUATMVKOED-UHFFFAOYSA-N 1 0 586.132 6.969 50 0 KKAARO O=C(CSc1nc2ccccc2c2nc(CC[NH+]3CCCCC3)nn21)c1ccc(Br)cc1 ZINC000002968869 552242257 /nfs/dbraw/zinc/24/22/57/552242257.db2.gz SRGKNUMZHVDAGA-UHFFFAOYSA-N 1 0 510.461 5.043 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccc(C)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034076 552268536 /nfs/dbraw/zinc/26/85/36/552268536.db2.gz NTWBSGORNBWFLM-UHFFFAOYSA-N 1 0 526.753 5.929 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccccc3Cl)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034064 552268605 /nfs/dbraw/zinc/26/86/05/552268605.db2.gz ILCDHQIFXCGMHL-UHFFFAOYSA-N 1 0 517.145 6.266 50 0 KKAARO CC(C)[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)Cc1ccccc1 ZINC000003054466 552279738 /nfs/dbraw/zinc/27/97/38/552279738.db2.gz OGXVQDSPARGRFT-UHFFFAOYSA-N 1 0 553.703 6.778 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061349 552282408 /nfs/dbraw/zinc/28/24/08/552282408.db2.gz CEJMZHJXPACUJO-WEMUVCOSSA-N 1 0 547.724 6.537 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062652 552283618 /nfs/dbraw/zinc/28/36/18/552283618.db2.gz SEDBWQZCSWCKCN-BRPDVVIDSA-N 1 0 529.681 6.112 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000003062670 552283689 /nfs/dbraw/zinc/28/36/89/552283689.db2.gz LJWIEDMDKQYRFI-YQYKVWLJSA-N 1 0 557.735 6.890 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000003063271 552283899 /nfs/dbraw/zinc/28/38/99/552283899.db2.gz SQYMKXGIKMRADT-ONDFPLASSA-N 1 0 553.772 6.773 50 0 KKAARO COc1ccc(C[C@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@H+]2C)cc1OCc1ccccc1 ZINC000003124414 552291292 /nfs/dbraw/zinc/29/12/92/552291292.db2.gz CURDJXSTACNZNJ-NDEPHWFRSA-N 1 0 539.672 6.642 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2[nH+]c2c1CCCC2 ZINC000003646047 552401640 /nfs/dbraw/zinc/40/16/40/552401640.db2.gz MNXWLXBKOICXIQ-DTQAZKPQSA-N 1 0 539.632 6.544 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@]3(O)c4ccccc4NC(=O)N3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003670399 552411219 /nfs/dbraw/zinc/41/12/19/552411219.db2.gz UFHSVHIHZKHPNC-LJAQVGFWSA-N 1 0 553.490 5.527 50 0 KKAARO O=C(CCCCCNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014906 552426420 /nfs/dbraw/zinc/42/64/20/552426420.db2.gz ODUMKZCGLZKICP-UHFFFAOYSA-N 1 0 665.834 8.684 50 0 KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+]2CCCC2)c2ccccc12 ZINC000004045143 552430909 /nfs/dbraw/zinc/43/09/09/552430909.db2.gz HUIQOQKKUDLZIJ-AREMUKBSSA-N 1 0 510.678 6.484 50 0 KKAARO CCCn1c(=O)/c(=C/C(=C/[C@@H]2Sc3ccccc3N2CC)OCC)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000004558559 552467244 /nfs/dbraw/zinc/46/72/44/552467244.db2.gz UGFRXFCVCXOQJV-SAYOOBAWSA-N 1 0 666.958 7.511 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762115 552478776 /nfs/dbraw/zinc/47/87/76/552478776.db2.gz BPHGPEBLJVGOLN-WJOKGBTCSA-N 1 0 615.800 5.027 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762123 552478913 /nfs/dbraw/zinc/47/89/13/552478913.db2.gz VEXYMZOXVVSUFN-SSEXGKCCSA-N 1 0 620.219 5.672 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166775 552556593 /nfs/dbraw/zinc/55/65/93/552556593.db2.gz ZYMCXRGCGGJREW-UHFFFAOYSA-N 1 0 623.712 9.171 50 0 KKAARO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166903 552557759 /nfs/dbraw/zinc/55/77/59/552557759.db2.gz MGGCARCGEYGRBY-UHFFFAOYSA-N 1 0 639.711 8.953 50 0 KKAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000006445382 552587685 /nfs/dbraw/zinc/58/76/85/552587685.db2.gz JWFSARIOZVATFH-KRWDZBQOSA-N 1 0 574.244 5.287 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000006446150 552588637 /nfs/dbraw/zinc/58/86/37/552588637.db2.gz HYMGRBVJUAZEGL-RUZDIDTESA-N 1 0 578.348 7.383 50 0 KKAARO CC[NH+](CC)C[C@H](O)CO[C@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000008398889 553000106 /nfs/dbraw/zinc/00/01/06/553000106.db2.gz SGZKVAGYMSSVIL-XZWHSSHBSA-N 1 0 521.705 6.721 50 0 KKAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000008431527 553023397 /nfs/dbraw/zinc/02/33/97/553023397.db2.gz JTVOVRLUTXDTFK-OADZCNSWSA-N 1 0 506.687 5.130 50 0 KKAARO CSCC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000008439497 553035778 /nfs/dbraw/zinc/03/57/78/553035778.db2.gz SZPXDUXKOUOUOC-ISCTWHGQSA-N 1 0 561.707 5.108 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596540 553090598 /nfs/dbraw/zinc/09/05/98/553090598.db2.gz KBNACRROAIAPAQ-UHFFFAOYSA-N 1 0 637.225 5.591 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597255 553092475 /nfs/dbraw/zinc/09/24/75/553092475.db2.gz AIBDDAPEEITJBZ-UHFFFAOYSA-N 1 0 571.766 5.937 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000008597667 553093513 /nfs/dbraw/zinc/09/35/13/553093513.db2.gz FUVPZPRRSNZJCE-UHFFFAOYSA-N 1 0 527.496 5.826 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[N@H+](C)C(C)C)cc1OCC ZINC000008817900 553153091 /nfs/dbraw/zinc/15/30/91/553153091.db2.gz YLHJZWGLPWCDJK-VWLOTQADSA-N 1 0 512.691 5.290 50 0 biogenic KKAARO Cc1ccc(NC(=O)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1C ZINC000008877646 553175485 /nfs/dbraw/zinc/17/54/85/553175485.db2.gz GENHWYLJAHPSDT-UHFFFAOYSA-N 1 0 521.149 7.495 50 0 KKAARO CCOc1ccc(NC(=O)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000008878085 553175579 /nfs/dbraw/zinc/17/55/79/553175579.db2.gz KPVCFGPFNDVYQF-UHFFFAOYSA-N 1 0 537.148 7.277 50 0 KKAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000008911739 553184178 /nfs/dbraw/zinc/18/41/78/553184178.db2.gz PYKFCBCUHPMXLO-AREMUKBSSA-N 1 0 504.744 5.591 50 0 KKAARO Cc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)c1 ZINC000008911787 553184493 /nfs/dbraw/zinc/18/44/93/553184493.db2.gz SJSGERPYGWURAG-UHFFFAOYSA-N 1 0 513.711 5.686 50 0 KKAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000008912122 553185349 /nfs/dbraw/zinc/18/53/49/553185349.db2.gz ORSKLFAOIBBLHC-UHFFFAOYSA-N 1 0 516.494 6.227 50 0 KKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913747 553185568 /nfs/dbraw/zinc/18/55/68/553185568.db2.gz CNBJXUUKYYPGON-UHFFFAOYSA-N 1 0 503.647 5.127 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 ZINC000009042259 553202504 /nfs/dbraw/zinc/20/25/04/553202504.db2.gz DVYGXYXQEZBGQB-DEOSSOPVSA-N 1 0 505.565 5.832 50 0 KKAARO CC[NH+](CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009226985 553222234 /nfs/dbraw/zinc/22/22/34/553222234.db2.gz SUIPTCVYRLXINZ-JGCGQSQUSA-N 1 0 522.693 5.927 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000009407161 553256835 /nfs/dbraw/zinc/25/68/35/553256835.db2.gz JFCRYKAWSJNCRD-RRPNLBNLSA-N 1 0 502.684 5.075 50 0 KKAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009407214 553257018 /nfs/dbraw/zinc/25/70/18/553257018.db2.gz UIIJHNXJGYOHPP-NSOVKSMOSA-N 1 0 514.695 5.362 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000009433207 553262945 /nfs/dbraw/zinc/26/29/45/553262945.db2.gz XPCXWNGNEWFXIT-LOYHVIPDSA-N 1 0 529.750 6.022 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432875 553262981 /nfs/dbraw/zinc/26/29/81/553262981.db2.gz RJZOUPMTYJYFRL-WUFINQPMSA-N 1 0 535.710 5.219 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H]1c1cccs1 ZINC000009433309 553263120 /nfs/dbraw/zinc/26/31/20/553263120.db2.gz SOBKELACTROAIH-WDYNHAJCSA-N 1 0 515.723 6.555 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433321 553263134 /nfs/dbraw/zinc/26/31/34/553263134.db2.gz NQXXNRNWPQCWOE-URLMMPGGSA-N 1 0 533.738 6.229 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433330 553263163 /nfs/dbraw/zinc/26/31/63/553263163.db2.gz ALWRIKVPWYIDRQ-RRPNLBNLSA-N 1 0 507.700 5.696 50 0 KKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433694 553263309 /nfs/dbraw/zinc/26/33/09/553263309.db2.gz HPUUZLKCBMJUKJ-FQLXRVMXSA-N 1 0 531.722 6.125 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433504 553263317 /nfs/dbraw/zinc/26/33/17/553263317.db2.gz GJBGVNWKVVQVRR-FQLXRVMXSA-N 1 0 515.723 6.000 50 0 KKAARO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000009490878 553274265 /nfs/dbraw/zinc/27/42/65/553274265.db2.gz QUFCNMSPKDXFSS-UHFFFAOYSA-N 1 0 529.084 5.896 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ccc3Sc3ccccc3C2=O)cc1 ZINC000009546394 553278342 /nfs/dbraw/zinc/27/83/42/553278342.db2.gz DSQMYDWGVLZLFI-PSWAGMNNSA-N 1 0 527.734 6.404 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678436 553295594 /nfs/dbraw/zinc/29/55/94/553295594.db2.gz CFHYUWWCZCVLLA-IBGZPJMESA-N 1 0 524.061 6.005 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777089 553306499 /nfs/dbraw/zinc/30/64/99/553306499.db2.gz VIWANJYOAUPSOY-UHFFFAOYSA-N 1 0 509.650 7.424 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000010059885 553327459 /nfs/dbraw/zinc/32/74/59/553327459.db2.gz XZIJEGHTRSABLJ-UHFFFAOYSA-N 1 0 502.398 5.434 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011913428 553349129 /nfs/dbraw/zinc/34/91/29/553349129.db2.gz FSDDWSLLRYXCFK-UHFFFAOYSA-N 1 0 500.042 6.204 50 0 KKAARO Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012037778 553350369 /nfs/dbraw/zinc/35/03/69/553350369.db2.gz GTARKFYAOJRJNH-AREMUKBSSA-N 1 0 514.699 5.319 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(ccc(C)c2C)s1 ZINC000012140894 553352280 /nfs/dbraw/zinc/35/22/80/553352280.db2.gz ZQEMSRDJGXZERK-UHFFFAOYSA-N 1 0 528.744 5.076 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1COc1ccc(OC)cc1 ZINC000012411636 553363544 /nfs/dbraw/zinc/36/35/44/553363544.db2.gz USENOHVSMAKKQK-UHFFFAOYSA-N 1 0 519.436 5.036 50 0 KKAARO COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000012513591 553382595 /nfs/dbraw/zinc/38/25/95/553382595.db2.gz UQQCYVSBACLNDG-JOCHJYFZSA-N 1 0 516.638 5.061 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000012563035 553395306 /nfs/dbraw/zinc/39/53/06/553395306.db2.gz TUFQCNGBOLPZFC-UHFFFAOYSA-N 1 0 509.654 5.562 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012661316 553412131 /nfs/dbraw/zinc/41/21/31/553412131.db2.gz UVVRCAOQNORAME-TWVPUFJYSA-N 1 0 525.862 8.816 50 0 biogenic KKAARO Brc1ccc(N=[P@@](c2ccccc2)([C@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000013301182 553457814 /nfs/dbraw/zinc/45/78/14/553457814.db2.gz BHWBEBOUVXNHCN-OOOSNSGVSA-N 1 0 530.447 5.623 50 0 KKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000013640446 553479060 /nfs/dbraw/zinc/47/90/60/553479060.db2.gz NVHGFKUAVMHEGS-UHFFFAOYSA-N 1 0 516.495 5.503 50 0 KKAARO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH3+])c(I)c1 ZINC000014969359 553522894 /nfs/dbraw/zinc/52/28/94/553522894.db2.gz ZOCLVGHDXBVATF-UHFFFAOYSA-N 1 0 589.211 5.553 50 0 in-vitro KKAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccc(-c5cccc(F)c5)cc4)CC3)cc2)cn1 ZINC000014984667 553523581 /nfs/dbraw/zinc/52/35/81/553523581.db2.gz LYZMPASCGIZUGO-UHFFFAOYSA-N 1 0 512.629 5.542 50 0 KKAARO Cc1cc(C)n(CC(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995847 553524390 /nfs/dbraw/zinc/52/43/90/553524390.db2.gz XUBHJZLRKMJSAM-HHHXNRCGSA-N 1 0 510.682 5.603 50 0 KKAARO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000015002373 553525012 /nfs/dbraw/zinc/52/50/12/553525012.db2.gz RJHAMKMYIAXCGZ-NRFANRHFSA-N 1 0 502.611 5.018 50 0 KKAARO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945904 553544177 /nfs/dbraw/zinc/54/41/77/553544177.db2.gz GFADXQKLFNGACF-FQEVSTJZSA-N 1 0 535.710 5.897 50 0 KKAARO O=C(C[NH2+]CCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000015946567 553544640 /nfs/dbraw/zinc/54/46/40/553544640.db2.gz XRMGCZWXAOOJQG-UHFFFAOYSA-N 1 0 526.500 5.803 50 0 KKAARO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1 ZINC000015946935 553544922 /nfs/dbraw/zinc/54/49/22/553544922.db2.gz VLWKWROORICRID-INIZCTEOSA-N 1 0 512.473 5.931 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947275 553545153 /nfs/dbraw/zinc/54/51/53/553545153.db2.gz PCJZLEHPKDVDPF-OAQYLSRUSA-N 1 0 502.423 6.081 50 0 KKAARO CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc1 ZINC000016042460 553552960 /nfs/dbraw/zinc/55/29/60/553552960.db2.gz SBYRWCGEUZZDJO-UHSQPCAPSA-N 1 0 512.698 5.285 50 0 KKAARO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)c1 ZINC000016291043 553558787 /nfs/dbraw/zinc/55/87/87/553558787.db2.gz HOERIORFZJNUCV-UHFFFAOYSA-N 1 0 525.674 5.915 50 0 KKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016382362 553561543 /nfs/dbraw/zinc/56/15/43/553561543.db2.gz HBBZQSSQDJLBIR-HXUWFJFHSA-N 1 0 511.460 5.436 50 0 KKAARO CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@H](c2ccc(OCC)cc2)[NH2+][C@H]3c2ccc(OCC)cc2)cc1 ZINC000068582911 553591814 /nfs/dbraw/zinc/59/18/14/553591814.db2.gz KEVVQDVLUNYZPF-ATFIVVJBSA-N 1 0 620.790 7.554 50 0 KKAARO CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019618402 553614886 /nfs/dbraw/zinc/61/48/86/553614886.db2.gz RYXWVOIAHOWXOH-GDLZYMKVSA-N 1 0 505.146 7.548 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699495 553616217 /nfs/dbraw/zinc/61/62/17/553616217.db2.gz GQKLNWUFARWHSN-MRPYTORDSA-N 1 0 535.644 5.107 50 0 biogenic KKAARO COc1cc([C@H]2CN3C(=O)CN(C4CC[NH+](Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070699477 553616250 /nfs/dbraw/zinc/61/62/50/553616250.db2.gz OULZYOPFULMYCC-IIZRLQMASA-N 1 0 606.767 5.660 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000070700090 553617624 /nfs/dbraw/zinc/61/76/24/553617624.db2.gz LELPAELXJQQSIG-SANMLTNESA-N 1 0 553.744 5.567 50 0 biogenic KKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CNCC[NH+](CC)CC ZINC000019818459 553618995 /nfs/dbraw/zinc/61/89/95/553618995.db2.gz ZEMGBJSGAKGUTD-UHFFFAOYSA-N 1 0 502.453 5.010 50 0 KKAARO CCOc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1OCC ZINC000020240739 553626717 /nfs/dbraw/zinc/62/67/17/553626717.db2.gz SYVBRDJVGFHHGF-UHFFFAOYSA-N 1 0 526.077 5.672 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O ZINC000020242638 553627543 /nfs/dbraw/zinc/62/75/43/553627543.db2.gz AGTBUGFVOVOTBK-QNGWXLTQSA-N 1 0 517.695 5.092 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000020242829 553627760 /nfs/dbraw/zinc/62/77/60/553627760.db2.gz MUJWCGZEJNELMR-KXQOOQHDSA-N 1 0 529.706 5.398 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894409 553631991 /nfs/dbraw/zinc/63/19/91/553631991.db2.gz BQPSLNDCCITJEQ-UHFFFAOYSA-N 1 0 504.556 6.083 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000020355191 553640819 /nfs/dbraw/zinc/64/08/19/553640819.db2.gz PZQKFFKTKXZXHF-AWSUPERCSA-N 1 0 537.704 6.346 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000072173470 553645329 /nfs/dbraw/zinc/64/53/29/553645329.db2.gz FITBJHMSYKQUFR-KXQOOQHDSA-N 1 0 535.685 5.395 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000072173471 553645342 /nfs/dbraw/zinc/64/53/42/553645342.db2.gz FITBJHMSYKQUFR-LHEWISCISA-N 1 0 535.685 5.395 50 0 KKAARO C[C@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325755 553648518 /nfs/dbraw/zinc/64/85/18/553648518.db2.gz AEIRAFOINCJNLV-FIRXMKNFSA-N 1 0 564.855 6.174 50 0 biogenic KKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035843 553667778 /nfs/dbraw/zinc/66/77/78/553667778.db2.gz PHWUUGVAYXWECB-UHFFFAOYSA-N 1 0 522.645 5.606 50 0 KKAARO Cc1nn2c(nc3c(c2N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)CCCC3)c1-c1ccccc1 ZINC000020567108 553673567 /nfs/dbraw/zinc/67/35/67/553673567.db2.gz HWYVYMVXGHCGKC-UHFFFAOYSA-N 1 0 513.689 6.495 50 0 KKAARO Cn1cc(C2(c3cn(C)c4ccccc34)CC[NH+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c2ccccc21 ZINC000085392896 553679164 /nfs/dbraw/zinc/67/91/64/553679164.db2.gz SNXSALDQGJYWPH-RUZDIDTESA-N 1 0 516.689 6.105 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2)Cc1ccccc1 ZINC000020726972 553690632 /nfs/dbraw/zinc/69/06/32/553690632.db2.gz DSDFCOGNWYWAHY-UHFFFAOYSA-N 1 0 506.115 7.368 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020727878 553690968 /nfs/dbraw/zinc/69/09/68/553690968.db2.gz SGZQELSKEWPZRW-UQQQWYQISA-N 1 0 525.596 5.433 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727935 553691024 /nfs/dbraw/zinc/69/10/24/553691024.db2.gz SKPSAVHGJZSWRI-QJOMJCCJSA-N 1 0 505.606 5.423 50 0 KKAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732230 553692156 /nfs/dbraw/zinc/69/21/56/553692156.db2.gz AMHQYYJGLZOVDO-JBASAIQMSA-N 1 0 511.666 5.814 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc3)C2=O)cc1 ZINC000020732158 553692188 /nfs/dbraw/zinc/69/21/88/553692188.db2.gz JXLHZJOGWODNPD-JEZFPDEOSA-N 1 0 523.677 5.814 50 0 KKAARO Cc1c(Cl)cccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733425 553692987 /nfs/dbraw/zinc/69/29/87/553692987.db2.gz DUVFQHDFCULGQD-UHFFFAOYSA-N 1 0 515.554 6.837 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020735325 553693297 /nfs/dbraw/zinc/69/32/97/553693297.db2.gz YTRMNNRPUFGYGT-YBMXKYEKSA-N 1 0 525.718 6.279 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735287 553693328 /nfs/dbraw/zinc/69/33/28/553693328.db2.gz UTDVJYZONKWYOK-DYIFSOBNSA-N 1 0 511.691 5.889 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2)CC(C)C ZINC000020735192 553693358 /nfs/dbraw/zinc/69/33/58/553693358.db2.gz MNTIJEOWACFBOT-MFKUBSTISA-N 1 0 500.108 6.159 50 0 KKAARO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c(Cl)c1 ZINC000020828519 553698862 /nfs/dbraw/zinc/69/88/62/553698862.db2.gz JQHSWFYEXXLYPB-UHFFFAOYSA-N 1 0 525.483 7.515 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)sc3nc2c1Cl ZINC000021087655 553706049 /nfs/dbraw/zinc/70/60/49/553706049.db2.gz LLMXWQUKHYNWCA-UHFFFAOYSA-N 1 0 523.102 5.670 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162328 553708712 /nfs/dbraw/zinc/70/87/12/553708712.db2.gz RNIJHDXCXBZOOL-UHFFFAOYSA-N 1 0 525.672 5.221 50 0 KKAARO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096269677 553731580 /nfs/dbraw/zinc/73/15/80/553731580.db2.gz IDKAKZRYYDCJDU-AEPXTFJPSA-N 1 0 562.513 5.303 50 0 in-vitro KKAARO CCOc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276564 553733269 /nfs/dbraw/zinc/73/32/69/553733269.db2.gz QNWGALJUVVOTPB-LJAQVGFWSA-N 1 0 513.657 5.961 50 0 KKAARO C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022938702 553768122 /nfs/dbraw/zinc/76/81/22/553768122.db2.gz OABVTVPMRHOMQB-YTTGMZPUSA-N 1 0 525.718 5.288 50 0 KKAARO COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000023077596 553769434 /nfs/dbraw/zinc/76/94/34/553769434.db2.gz POGFKQUXUAGFGS-UHFFFAOYSA-N 1 0 535.710 5.130 50 0 KKAARO CCCC[C@H](CC)C(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023424776 553775117 /nfs/dbraw/zinc/77/51/17/553775117.db2.gz LZFUNZMSPUQRBQ-NRFANRHFSA-N 1 0 514.636 6.706 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000097948375 553793381 /nfs/dbraw/zinc/79/33/81/553793381.db2.gz PJXKYZMWKQKLMI-UHFFFAOYSA-N 1 0 566.496 5.599 50 0 KKAARO CCOc1cccc(-c2cccc(-c3nc(C[N@@H+]4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155768 553798800 /nfs/dbraw/zinc/79/88/00/553798800.db2.gz OTAQGNADWZKEKY-MHZLTWQESA-N 1 0 538.801 9.018 50 0 KKAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1C ZINC000097949328 553801418 /nfs/dbraw/zinc/80/14/18/553801418.db2.gz MFDIHAAJGFORRC-UHFFFAOYSA-N 1 0 558.564 7.008 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000025184513 553805805 /nfs/dbraw/zinc/80/58/05/553805805.db2.gz LJTNWWMZYNJDLT-DFZDUAMZSA-N 1 0 507.476 5.238 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000025578159 553811154 /nfs/dbraw/zinc/81/11/54/553811154.db2.gz MCBGWELZRDYLET-OAQYLSRUSA-N 1 0 509.275 6.502 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@H](C3)[N@H+](C)CC4)cc1 ZINC000027472958 553825832 /nfs/dbraw/zinc/82/58/32/553825832.db2.gz MPXVMWCGUBXTFN-MHZLTWQESA-N 1 0 503.598 6.494 50 0 biogenic KKAARO COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=C[N@H+]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956263 553837318 /nfs/dbraw/zinc/83/73/18/553837318.db2.gz XZLDJIMNFYMIEX-DGWZTRNLSA-N 1 0 536.411 5.702 50 0 KKAARO CC[N@@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@@H]2C1 ZINC000097956717 553841072 /nfs/dbraw/zinc/84/10/72/553841072.db2.gz HHIDFPDEMOFTKO-MHZLTWQESA-N 1 0 543.067 5.210 50 0 KKAARO COc1ccc(CC[NH2+]C[C@@H](O)Cn2c3c(cc(C)cc3C)c(-c3ccccc3)c2-c2ccccc2)cc1OC ZINC000028296689 553841910 /nfs/dbraw/zinc/84/19/10/553841910.db2.gz AYYFXLWSBDCOTB-GDLZYMKVSA-N 1 0 534.700 6.803 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956780 553841976 /nfs/dbraw/zinc/84/19/76/553841976.db2.gz QUEXHOQOACIPAS-QGZVFWFLSA-N 1 0 525.310 6.019 50 0 KKAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1ccc(Cl)cc1 ZINC000032517989 553869356 /nfs/dbraw/zinc/86/93/56/553869356.db2.gz JDIQRBWZILNLNJ-FIBWVYCGSA-N 1 0 527.068 5.576 50 0 KKAARO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000097963579 553892057 /nfs/dbraw/zinc/89/20/57/553892057.db2.gz ARUGWCUKQORXNG-UHFFFAOYSA-N 1 0 563.786 5.537 50 0 KKAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963589 553892179 /nfs/dbraw/zinc/89/21/79/553892179.db2.gz INLCMQOALYKWSC-UHFFFAOYSA-N 1 0 567.733 5.088 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH2+]C3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000033354125 553928434 /nfs/dbraw/zinc/92/84/34/553928434.db2.gz KDBOHEAJIOFCFT-FQEVSTJZSA-N 1 0 575.569 6.072 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000033354904 553932129 /nfs/dbraw/zinc/93/21/29/553932129.db2.gz CTAJWSNPWCGOIY-UJOCQTKCSA-N 1 0 532.015 5.045 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354942 553932158 /nfs/dbraw/zinc/93/21/58/553932158.db2.gz WDJNIEADSJLIEA-NWJSTBPLSA-N 1 0 548.053 5.923 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O)CC(C)C ZINC000033356426 553941431 /nfs/dbraw/zinc/94/14/31/553941431.db2.gz NQPKHZDPCXYXIN-FAIXQHPJSA-N 1 0 563.739 5.887 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000033357111 553946527 /nfs/dbraw/zinc/94/65/27/553946527.db2.gz WAOOZAWAUBQAMS-HHHXNRCGSA-N 1 0 628.145 5.170 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2=S)cc1 ZINC000033357126 553946762 /nfs/dbraw/zinc/94/67/62/553946762.db2.gz KZXRSFMJXDEGOU-JGCGQSQUSA-N 1 0 670.832 5.326 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc21 ZINC000033422098 553959564 /nfs/dbraw/zinc/95/95/64/553959564.db2.gz ZEHGJPVTWNYYHP-LVMGUKCRSA-N 1 0 517.501 7.047 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2cccc(F)c2)o1 ZINC000033546040 553962344 /nfs/dbraw/zinc/96/23/44/553962344.db2.gz MBHBFTJDVKTAMK-UHFFFAOYSA-N 1 0 520.649 5.318 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671664 553982489 /nfs/dbraw/zinc/98/24/89/553982489.db2.gz PQQHCQBBIKIGRA-JHOUSYSJSA-N 1 0 504.674 6.617 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671661 553982579 /nfs/dbraw/zinc/98/25/79/553982579.db2.gz PQQHCQBBIKIGRA-SAIUNTKASA-N 1 0 504.674 6.617 50 0 KKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc1 ZINC000034681637 553985195 /nfs/dbraw/zinc/98/51/95/553985195.db2.gz DBWVWYZHJPVXCL-UHFFFAOYSA-N 1 0 510.604 6.363 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698408 553991500 /nfs/dbraw/zinc/99/15/00/553991500.db2.gz VKQHZIOKWUMCDC-HOFKKMOUSA-N 1 0 511.563 5.523 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698965 553992107 /nfs/dbraw/zinc/99/21/07/553992107.db2.gz ZXOFJOFVHPIAAQ-VAVYLYDRSA-N 1 0 504.646 5.857 50 0 KKAARO COc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699144 553992264 /nfs/dbraw/zinc/99/22/64/553992264.db2.gz DVJQUUTVKFKJNJ-RBJSKKJNSA-N 1 0 528.590 6.620 50 0 KKAARO Cc1cc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)oc1C ZINC000034699164 553992288 /nfs/dbraw/zinc/99/22/88/553992288.db2.gz RUPCVIAPEOZQPW-KCWPFWIISA-N 1 0 516.579 6.821 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699158 553992355 /nfs/dbraw/zinc/99/23/55/553992355.db2.gz XUOSCCOZUPEBSV-RBJSKKJNSA-N 1 0 528.590 6.620 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699360 553992628 /nfs/dbraw/zinc/99/26/28/553992628.db2.gz YIPQTEYEQKRBKX-RPLLCQBOSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716819 553995693 /nfs/dbraw/zinc/99/56/93/553995693.db2.gz UXUMWYGVNIKARA-WUFINQPMSA-N 1 0 520.092 5.738 50 0 KKAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034725512 553996655 /nfs/dbraw/zinc/99/66/55/553996655.db2.gz WUTFNTTYOJPACD-UHFFFAOYSA-N 1 0 515.698 5.883 50 0 KKAARO O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097983626 554010617 /nfs/dbraw/zinc/01/06/17/554010617.db2.gz ZSFPVGLXPLEPQB-IEPGDLOPSA-N 1 0 573.504 9.147 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CSc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829544 554012101 /nfs/dbraw/zinc/01/21/01/554012101.db2.gz BCHHEBCYRJHVKA-UHFFFAOYSA-N 1 0 505.732 5.100 50 0 KKAARO COc1ccccc1N1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000097984242 554015010 /nfs/dbraw/zinc/01/50/10/554015010.db2.gz NUXKPGCAKGEFRQ-FQEVSTJZSA-N 1 0 573.329 5.511 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830409 554015804 /nfs/dbraw/zinc/01/58/04/554015804.db2.gz QDGPRDNTJMHSBT-NYULUDCUSA-N 1 0 509.760 5.670 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830490 554016190 /nfs/dbraw/zinc/01/61/90/554016190.db2.gz MTJLHYJHKWMQOD-PMERELPUSA-N 1 0 533.713 5.552 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000034831349 554017035 /nfs/dbraw/zinc/01/70/35/554017035.db2.gz MUCQDSBOYXDFSS-UHFFFAOYSA-N 1 0 515.489 5.683 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034832175 554017945 /nfs/dbraw/zinc/01/79/45/554017945.db2.gz XKBRYSUDWTUQMZ-HXUWFJFHSA-N 1 0 527.088 5.948 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832205 554017971 /nfs/dbraw/zinc/01/79/71/554017971.db2.gz YLVQBTQKLVABHK-UHFFFAOYSA-N 1 0 523.125 6.056 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834651 554018769 /nfs/dbraw/zinc/01/87/69/554018769.db2.gz REABADFQVVZRLY-UHFFFAOYSA-N 1 0 528.528 5.928 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834990 554019166 /nfs/dbraw/zinc/01/91/66/554019166.db2.gz PHOBOOVLTQUJEG-FQEVSTJZSA-N 1 0 528.528 6.070 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835167 554019573 /nfs/dbraw/zinc/01/95/73/554019573.db2.gz WSLJPHFBFCSGLD-UHFFFAOYSA-N 1 0 531.745 5.299 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)CCC1CCCC1 ZINC000034835317 554019691 /nfs/dbraw/zinc/01/96/91/554019691.db2.gz MDUOWDDQNWGGFO-UHFFFAOYSA-N 1 0 525.757 6.059 50 0 KKAARO CCCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)C2CC2)cc1 ZINC000034835618 554019986 /nfs/dbraw/zinc/01/99/86/554019986.db2.gz XMZBCVDOHOSGAY-UHFFFAOYSA-N 1 0 531.720 5.999 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(C)cc1C ZINC000034835769 554020372 /nfs/dbraw/zinc/02/03/72/554020372.db2.gz ZSLFCVHCNZOFGA-UHFFFAOYSA-N 1 0 534.724 6.165 50 0 KKAARO O=C(Nc1cccc(Cl)c1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912481 554029529 /nfs/dbraw/zinc/02/95/29/554029529.db2.gz ACRHJJFMWQNAJJ-UHFFFAOYSA-N 1 0 523.121 5.530 50 0 KKAARO CC(C)c1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397188 554047837 /nfs/dbraw/zinc/04/78/37/554047837.db2.gz APOGIIUCUCXBCA-UHFFFAOYSA-N 1 0 513.505 5.568 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397213 554047891 /nfs/dbraw/zinc/04/78/91/554047891.db2.gz JDOTVSJQUJULOJ-UHFFFAOYSA-N 1 0 521.431 5.112 50 0 KKAARO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3n2)c1 ZINC000098005187 554057447 /nfs/dbraw/zinc/05/74/47/554057447.db2.gz TUGRPPHGAPDVLQ-UHFFFAOYSA-N 1 0 539.602 5.150 50 0 KKAARO C[C@H](c1ccccc1)[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035577090 554061431 /nfs/dbraw/zinc/06/14/31/554061431.db2.gz DQUUZYUBXGZDLW-LJQANCHMSA-N 1 0 511.580 5.226 50 0 KKAARO COc1ccc(OCc2c(C(=O)OCC[NH+](C(C)C)C(C)C)c3cc(OC)c(Br)cc3n2C)cc1 ZINC000098007938 554064827 /nfs/dbraw/zinc/06/48/27/554064827.db2.gz AJDBBMMSZYGQGA-UHFFFAOYSA-N 1 0 547.490 5.813 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CCC ZINC000035842626 554081306 /nfs/dbraw/zinc/08/13/06/554081306.db2.gz PHKMYNFGOVKARF-NDEPHWFRSA-N 1 0 505.747 6.300 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842617 554081394 /nfs/dbraw/zinc/08/13/94/554081394.db2.gz WUYSFEDQZKUSDD-LJAQVGFWSA-N 1 0 535.773 5.925 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000035842720 554081524 /nfs/dbraw/zinc/08/15/24/554081524.db2.gz NNRZRNBSQIBZPI-UHFFFAOYSA-N 1 0 522.520 7.204 50 0 KKAARO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844927 554083211 /nfs/dbraw/zinc/08/32/11/554083211.db2.gz CLCRREVNSXKYAS-UHFFFAOYSA-N 1 0 516.604 6.107 50 0 KKAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@H]23)cc1 ZINC000035871460 554085743 /nfs/dbraw/zinc/08/57/43/554085743.db2.gz SNBZYKGSARCDRH-XNMGPUDCSA-N 1 0 509.572 5.258 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910545 554094546 /nfs/dbraw/zinc/09/45/46/554094546.db2.gz NXNCWZHJMBVSLA-MHZLTWQESA-N 1 0 501.621 6.311 50 0 KKAARO COc1ccc(C[N@@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035927814 554101178 /nfs/dbraw/zinc/10/11/78/554101178.db2.gz RYWNVQPYUXSAGF-UHFFFAOYSA-N 1 0 518.665 5.436 50 0 KKAARO CC(C)CN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Cl ZINC000035945017 554102401 /nfs/dbraw/zinc/10/24/01/554102401.db2.gz TZHFLQLQDJFICK-UHFFFAOYSA-N 1 0 541.180 6.544 50 0 KKAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C(=O)N(CC[NH+]1CCCCC1)c1ccccc1 ZINC000098044774 554129731 /nfs/dbraw/zinc/12/97/31/554129731.db2.gz NMUHIGBBUQFVEG-UHFFFAOYSA-N 1 0 604.545 6.711 50 0 KKAARO CCOC(=O)N1CCC(NC(=O)CCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000098045572 554132440 /nfs/dbraw/zinc/13/24/40/554132440.db2.gz KHFJVHSBDMICQJ-UHFFFAOYSA-N 1 0 597.760 5.054 50 0 KKAARO Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2cccs2)c1 ZINC000036052032 554157749 /nfs/dbraw/zinc/15/77/49/554157749.db2.gz AOAJXMNBXWOSMB-UHFFFAOYSA-N 1 0 522.074 5.205 50 0 KKAARO [NH3+][C@H](c1ccccc1)[C@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000098072752 554176571 /nfs/dbraw/zinc/17/65/71/554176571.db2.gz YHBAPPMVVCHAQC-XDSPJLLDSA-N 1 0 507.617 9.597 50 0 KKAARO CS(=O)(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100001476 554177476 /nfs/dbraw/zinc/17/74/76/554177476.db2.gz JRHZWLRGMWNZJF-UHFFFAOYSA-N 1 0 552.740 5.915 50 0 KKAARO COc1cccc(C(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)c1 ZINC000036116621 554182174 /nfs/dbraw/zinc/18/21/74/554182174.db2.gz RIAVBTRYZCWFTJ-UHFFFAOYSA-N 1 0 507.700 5.982 50 0 KKAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc(Br)ccc1Cl ZINC000100055267 554195932 /nfs/dbraw/zinc/19/59/32/554195932.db2.gz SYJZXFCYLJYFFI-UHFFFAOYSA-N 1 0 543.918 5.552 50 0 KKAARO O=C(c1ccccc1)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124416 554196623 /nfs/dbraw/zinc/19/66/23/554196623.db2.gz VXFHBMFXUSNRQE-UHFFFAOYSA-N 1 0 504.483 6.157 50 0 KKAARO CC(=O)Oc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3n2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000100057014 554196753 /nfs/dbraw/zinc/19/67/53/554196753.db2.gz DGEPGJZKMFNSDD-UHFFFAOYSA-N 1 0 554.687 6.770 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146744 554198101 /nfs/dbraw/zinc/19/81/01/554198101.db2.gz YWJCPDUGNPGTHU-IRLDBZIGSA-N 1 0 507.389 5.298 50 0 KKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167626 554199943 /nfs/dbraw/zinc/19/99/43/554199943.db2.gz ZOLBMMKXQJMTAF-UHFFFAOYSA-N 1 0 531.649 6.010 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302338 554212240 /nfs/dbraw/zinc/21/22/40/554212240.db2.gz LLJVVLLXLBRCDB-SANMLTNESA-N 1 0 515.654 5.880 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036304097 554214483 /nfs/dbraw/zinc/21/44/83/554214483.db2.gz XOIDUNNOQHHDQY-AREMUKBSSA-N 1 0 521.608 6.039 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCC(C)C ZINC000036304960 554214772 /nfs/dbraw/zinc/21/47/72/554214772.db2.gz AZWUQOXWASHKNU-JOCHJYFZSA-N 1 0 502.055 5.015 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306557 554215719 /nfs/dbraw/zinc/21/57/19/554215719.db2.gz LNHLEGSYSUIFOV-RUZDIDTESA-N 1 0 501.627 5.571 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306858 554215947 /nfs/dbraw/zinc/21/59/47/554215947.db2.gz AHHOTCCTJRLSRD-XMMPIXPASA-N 1 0 501.602 5.670 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316071 554219638 /nfs/dbraw/zinc/21/96/38/554219638.db2.gz LAUGOIOKYRAZNE-AHKZPQOWSA-N 1 0 507.675 5.202 50 0 KKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316107 554219667 /nfs/dbraw/zinc/21/96/67/554219667.db2.gz MDWHXRRIHVFINP-HSZRJFAPSA-N 1 0 501.618 5.649 50 0 KKAARO COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341399 554220908 /nfs/dbraw/zinc/22/09/08/554220908.db2.gz WYUPVESFBIBVBP-NDEPHWFRSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343432 554221882 /nfs/dbraw/zinc/22/18/82/554221882.db2.gz KSDGOESBYRXTRG-PMERELPUSA-N 1 0 511.666 5.645 50 0 KKAARO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343433 554221919 /nfs/dbraw/zinc/22/19/19/554221919.db2.gz KSDGOESBYRXTRG-SSEXGKCCSA-N 1 0 511.666 5.645 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344216 554222690 /nfs/dbraw/zinc/22/26/90/554222690.db2.gz PWNFRVNXZROYQZ-HKBQPEDESA-N 1 0 525.693 5.953 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(NCC[NH+]1CCCCC1)nc2-c1ccccc1F ZINC000037358316 554234749 /nfs/dbraw/zinc/23/47/49/554234749.db2.gz RRYOGERKOGUECM-UHFFFAOYSA-N 1 0 500.409 5.408 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1cc2scc(Br)c2n1Cc1ccc(Br)cc1 ZINC000037587901 554252932 /nfs/dbraw/zinc/25/29/32/554252932.db2.gz CSQCOFRAZQXKIH-UHFFFAOYSA-N 1 0 511.283 5.102 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)cc1 ZINC000038139113 554259068 /nfs/dbraw/zinc/25/90/68/554259068.db2.gz CLRFIEWSDSOYIS-UHFFFAOYSA-N 1 0 536.723 5.418 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)CC3)s2)cc1 ZINC000038139228 554259553 /nfs/dbraw/zinc/25/95/53/554259553.db2.gz RHHIFTMQWFRSCV-ZEQRLZLVSA-N 1 0 579.815 5.325 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)CC3)s2)cc1 ZINC000038139227 554259559 /nfs/dbraw/zinc/25/95/59/554259559.db2.gz RHHIFTMQWFRSCV-PSWAGMNNSA-N 1 0 579.815 5.325 50 0 KKAARO COc1cc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000038139924 554261866 /nfs/dbraw/zinc/26/18/66/554261866.db2.gz NETWVFJUARMYDT-UHFFFAOYSA-N 1 0 550.659 5.803 50 0 biogenic KKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3)nc21 ZINC000038144526 554265921 /nfs/dbraw/zinc/26/59/21/554265921.db2.gz LTYWSFWKTFEVPP-UHFFFAOYSA-N 1 0 580.776 5.504 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000038144538 554266076 /nfs/dbraw/zinc/26/60/76/554266076.db2.gz NNWLPSHIRKXURN-UHFFFAOYSA-N 1 0 564.777 5.722 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C/C=C/C1=C/C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)CC(C)(C)C1 ZINC000100266655 554267139 /nfs/dbraw/zinc/26/71/39/554267139.db2.gz UVMWKWJWJVMDKX-UHFFFAOYSA-N 1 0 603.874 11.096 50 0 KKAARO COC(=O)/C=C/c1ccc(C[NH+](CCc2c(C)[nH]c3ccccc32)Cc2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC000038490567 554274717 /nfs/dbraw/zinc/27/47/17/554274717.db2.gz BBCSIYCHPQYMAL-YWNVXTCZSA-N 1 0 522.645 6.094 50 0 KKAARO CCN1c2sc3ccccc3c2S/C1=C\C=C(C)\C=C\c1sc2c3ccccc3sc2[n+]1CC ZINC000039440309 554279352 /nfs/dbraw/zinc/27/93/52/554279352.db2.gz PJOALIBPDJTQSX-UHFFFAOYSA-N 1 0 517.790 9.071 50 0 KKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000045912807 554313994 /nfs/dbraw/zinc/31/39/94/554313994.db2.gz WHTAIGFXGLSIFQ-UHFFFAOYSA-N 1 0 505.869 5.098 50 0 KKAARO CC[NH+](CC)CCCC[C@@H](NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2)c1ccccc1 ZINC000051331119 554329356 /nfs/dbraw/zinc/32/93/56/554329356.db2.gz XFQBKBOYSLWDEK-AREMUKBSSA-N 1 0 517.739 6.862 50 0 KKAARO CCOc1c(Br)cc([C@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356906 554344985 /nfs/dbraw/zinc/34/49/85/554344985.db2.gz CEYLFJGEHUEGAU-KBMIEXCESA-N 1 0 537.454 6.179 50 0 KKAARO CC(C)[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)Cc1ccccc1 ZINC000053371782 554348134 /nfs/dbraw/zinc/34/81/34/554348134.db2.gz MTYXOPDWTUXEPC-RWYGWLOXSA-N 1 0 586.157 6.308 50 0 KKAARO CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057222884 554353005 /nfs/dbraw/zinc/35/30/05/554353005.db2.gz LPAPUSLTBOQLDZ-UHFFFAOYSA-N 1 0 501.627 5.227 50 0 KKAARO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000059364557 554392965 /nfs/dbraw/zinc/39/29/65/554392965.db2.gz ZCTJIMXXSXQXRI-IHLOFXLRSA-N 1 0 696.841 7.063 50 0 biogenic,in-vitro KKAARO Cc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059796310 554430551 /nfs/dbraw/zinc/43/05/51/554430551.db2.gz HTVNOZMEKLYJJG-XOEWJNCRSA-N 1 0 513.597 5.163 50 0 KKAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000100810792 554475209 /nfs/dbraw/zinc/47/52/09/554475209.db2.gz FUNRSXVVSCAMJQ-MHZLTWQESA-N 1 0 596.367 6.102 50 0 KKAARO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000100819691 554479015 /nfs/dbraw/zinc/47/90/15/554479015.db2.gz BWZJUPKQRKIYKE-UHFFFAOYSA-N 1 0 549.759 5.147 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH+]3CCCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000100843938 554490553 /nfs/dbraw/zinc/49/05/53/554490553.db2.gz FIEDSXNMYITJIU-FQEVSTJZSA-N 1 0 575.569 6.026 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cccc2Cl)s1 ZINC000060232183 554504453 /nfs/dbraw/zinc/50/44/53/554504453.db2.gz UXUVUCYYTVOFQB-UHFFFAOYSA-N 1 0 569.152 5.690 50 0 KKAARO CCCN1c2ccccc2C(C)(C)C1=CC=C1CCCC(=CC=C2N(CCC)c3ccccc3C2(C)C)C1=[S+]c1ccccc1 ZINC000060272696 554504612 /nfs/dbraw/zinc/50/46/12/554504612.db2.gz IJEICOCHDMORBQ-UHFFFAOYSA-N 1 0 613.935 11.277 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCCC)[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515017 554509661 /nfs/dbraw/zinc/50/96/61/554509661.db2.gz KEVZOGUKXGKGJX-LQJZCPKCSA-N 1 0 518.717 6.988 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@@H]([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927461 554524634 /nfs/dbraw/zinc/52/46/34/554524634.db2.gz ZQUBRKJSKNTGGQ-VDVKDMFPSA-N 1 0 528.958 5.675 50 0 KKAARO c1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)[s+]c(-c5ccccc5)c4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000100984910 554548325 /nfs/dbraw/zinc/54/83/25/554548325.db2.gz DXKHJOKJLZIZJB-BHVANESWSA-N 1 0 545.731 10.386 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000100989561 554549794 /nfs/dbraw/zinc/54/97/94/554549794.db2.gz MGHYPHNKHXMCAM-VWLOTQADSA-N 1 0 536.445 6.133 50 0 KKAARO COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)cc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000100989556 554549800 /nfs/dbraw/zinc/54/98/00/554549800.db2.gz WGLSVYNUFYWTNP-SANMLTNESA-N 1 0 548.481 6.002 50 0 KKAARO Brc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100991473 554550113 /nfs/dbraw/zinc/55/01/13/554550113.db2.gz QLGLGFFHBNOSHB-RUZDIDTESA-N 1 0 567.325 6.747 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)CCn3c4ccccc4oc3=S)ccc2[nH+]c2c1CCCC2 ZINC000101193507 554671567 /nfs/dbraw/zinc/67/15/67/554671567.db2.gz MXRHMVWMAQKOFB-UHFFFAOYSA-N 1 0 524.646 7.172 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101206658 554676413 /nfs/dbraw/zinc/67/64/13/554676413.db2.gz UDUNPWMGWDRQOU-SRILOVTHSA-N 1 0 619.206 5.099 50 0 biogenic KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216155 554682818 /nfs/dbraw/zinc/68/28/18/554682818.db2.gz JFPADSSFISCGAX-VWLOTQADSA-N 1 0 573.159 5.200 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216664 554684232 /nfs/dbraw/zinc/68/42/32/554684232.db2.gz MPWSXRLDQCEBNO-SANMLTNESA-N 1 0 606.620 5.141 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000101222490 554687648 /nfs/dbraw/zinc/68/76/48/554687648.db2.gz FXBYVFHUZBOXOY-NDEPHWFRSA-N 1 0 541.692 5.294 50 0 KKAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226204 554688956 /nfs/dbraw/zinc/68/89/56/554688956.db2.gz AUOGLTMBIUTBKX-CONSDPRKSA-N 1 0 543.683 5.553 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255102 554696146 /nfs/dbraw/zinc/69/61/46/554696146.db2.gz RFKSCLFLIDLEDD-SSEXGKCCSA-N 1 0 620.219 5.278 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255087 554696217 /nfs/dbraw/zinc/69/62/17/554696217.db2.gz NWEQTDHXYUAZCH-JGCGQSQUSA-N 1 0 629.827 5.023 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341056 554735285 /nfs/dbraw/zinc/73/52/85/554735285.db2.gz QXXSAVXKVKGEHG-WBBHLRKXSA-N 1 0 579.832 5.613 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101372168 554744679 /nfs/dbraw/zinc/74/46/79/554744679.db2.gz YWMBPVDTEHODPQ-QRHBHCOUSA-N 1 0 639.624 5.444 50 0 biogenic KKAARO CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101374214 554745718 /nfs/dbraw/zinc/74/57/18/554745718.db2.gz KISSOZVMLDVLSA-USHMODERSA-N 1 0 581.569 6.045 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@H]4CCC[N@@H+]5CCCC[C@H]45)cs3)n2)c(OC)c1 ZINC000101378255 554747357 /nfs/dbraw/zinc/74/73/57/554747357.db2.gz RXGUCKFJONMYEH-IIBYNOLFSA-N 1 0 549.619 5.026 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)c(OC)c1 ZINC000101386142 554751186 /nfs/dbraw/zinc/75/11/86/554751186.db2.gz HGXJHCTXYDJYPU-NJHZRGNWSA-N 1 0 572.750 5.717 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386241 554751743 /nfs/dbraw/zinc/75/17/43/554751743.db2.gz XVKPUBUOGCGNQE-NQVJXQQZSA-N 1 0 605.827 6.804 50 0 KKAARO C[C@@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410941 554763743 /nfs/dbraw/zinc/76/37/43/554763743.db2.gz VCYRPWJEMIMZOW-XJFCNFDWSA-N 1 0 559.751 5.930 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000101416209 554765053 /nfs/dbraw/zinc/76/50/53/554765053.db2.gz YQPIZBACKPPKDZ-VZUYHUTRSA-N 1 0 591.777 6.088 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)CC3)nc2cc1Br ZINC000101448721 554775172 /nfs/dbraw/zinc/77/51/72/554775172.db2.gz QVKSKPSNJNOXDU-HDICACEKSA-N 1 0 537.568 5.443 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506307 554789938 /nfs/dbraw/zinc/78/99/38/554789938.db2.gz SNZURSZJVVXMDU-SPKJYZRXSA-N 1 0 629.870 8.058 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101506374 554790182 /nfs/dbraw/zinc/79/01/82/554790182.db2.gz VZIUJJUFRSEIFC-MQPGQEPHSA-N 1 0 567.799 7.081 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000101507042 554790993 /nfs/dbraw/zinc/79/09/93/554790993.db2.gz PQNCFFTXZAKQAX-PDQROTASSA-N 1 0 553.772 7.059 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506975 554791030 /nfs/dbraw/zinc/79/10/30/554791030.db2.gz NUNHNMDHKMTFLW-PPFNPFNJSA-N 1 0 557.694 6.356 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)CC1 ZINC000101507844 554791571 /nfs/dbraw/zinc/79/15/71/554791571.db2.gz QGBFDVONOCOSPV-OOWIMERYSA-N 1 0 599.179 5.361 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)s2)cc1 ZINC000101575572 554798985 /nfs/dbraw/zinc/79/89/85/554798985.db2.gz HFCDSCBZXQQTSB-UHFFFAOYSA-N 1 0 579.815 5.327 50 0 KKAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)C3)nc2c(C)c1 ZINC000101584088 554801512 /nfs/dbraw/zinc/80/15/12/554801512.db2.gz AXTBZVXRVKFGRL-HSZRJFAPSA-N 1 0 540.177 5.420 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)c1 ZINC000101617923 554806454 /nfs/dbraw/zinc/80/64/54/554806454.db2.gz SYXQMQSCOLPHNI-CONSDPRKSA-N 1 0 558.792 5.630 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101637170 554813328 /nfs/dbraw/zinc/81/33/28/554813328.db2.gz KOZHGNCQZYJFMN-BCJTWVECSA-N 1 0 606.767 6.053 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101637576 554813652 /nfs/dbraw/zinc/81/36/52/554813652.db2.gz KLSCIOJXXPJXGC-USYZEHPZSA-N 1 0 626.222 6.742 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000101637653 554813699 /nfs/dbraw/zinc/81/36/99/554813699.db2.gz MIEBKHVFUYCWQJ-KWLUCORDSA-N 1 0 553.772 7.059 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1cccc2ccccc21 ZINC000101661317 554821760 /nfs/dbraw/zinc/82/17/60/554821760.db2.gz JTODGCJNGWDTBP-UHFFFAOYSA-N 1 0 542.605 6.957 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670789 554824206 /nfs/dbraw/zinc/82/42/06/554824206.db2.gz RPUKYEYTCDNLPT-CHCBTGSZSA-N 1 0 563.416 5.090 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670785 554824240 /nfs/dbraw/zinc/82/42/40/554824240.db2.gz RPUKYEYTCDNLPT-HNFJUSDZSA-N 1 0 563.416 5.090 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101687711 554829957 /nfs/dbraw/zinc/82/99/57/554829957.db2.gz LGRJBEIFRHQNTE-USHMODERSA-N 1 0 581.569 5.802 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)CC(C)C ZINC000101687720 554829970 /nfs/dbraw/zinc/82/99/70/554829970.db2.gz HOHYUNZEQAPOHX-UHFFFAOYSA-N 1 0 565.784 5.061 50 0 KKAARO CSc1nn2c(nc(C)cc2N2CC[NH+]=C(NC(C)(C)CC(C)(C)C)[C@H]2C)c1S(=O)(=O)c1ccccc1 ZINC000101729871 554833256 /nfs/dbraw/zinc/83/32/56/554833256.db2.gz VRDQLSLUILGUTR-LJQANCHMSA-N 1 0 542.775 5.004 50 0 KKAARO CN(C(=O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000101864917 554844895 /nfs/dbraw/zinc/84/48/95/554844895.db2.gz PURKDPIBLHDKOM-SETSBSEESA-N 1 0 571.732 5.684 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101865857 554845082 /nfs/dbraw/zinc/84/50/82/554845082.db2.gz WVVWSVHYKLDFFH-QHCPKHFHSA-N 1 0 563.743 5.604 50 0 KKAARO Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000101908867 554849127 /nfs/dbraw/zinc/84/91/27/554849127.db2.gz GFPAKUSUQRRQRS-SANMLTNESA-N 1 0 585.818 6.303 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101979674 554863602 /nfs/dbraw/zinc/86/36/02/554863602.db2.gz JGNGLITYQVEAHL-JYJPFYCCSA-N 1 0 570.803 5.997 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000101990986 554863880 /nfs/dbraw/zinc/86/38/80/554863880.db2.gz SEXXIVHIGBPBEK-WPHQEQLXSA-N 1 0 551.131 5.202 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccccc1F ZINC000102045841 554870027 /nfs/dbraw/zinc/87/00/27/554870027.db2.gz FBRFVEJSADWSOT-RNAHPLFWSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000102045821 554870036 /nfs/dbraw/zinc/87/00/36/554870036.db2.gz QCECIXKHGRSZJC-NJHZRGNWSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)c(OC)c1 ZINC000102045717 554870066 /nfs/dbraw/zinc/87/00/66/554870066.db2.gz RQGXGUUJUITAQI-RNAHPLFWSA-N 1 0 573.753 6.995 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102045875 554870286 /nfs/dbraw/zinc/87/02/86/554870286.db2.gz YMJNFVBWFLWQNT-RRTCDKLQSA-N 1 0 631.861 8.426 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050844 554871240 /nfs/dbraw/zinc/87/12/40/554871240.db2.gz WBFSLCYZEWWMLR-SSEXGKCCSA-N 1 0 573.778 6.165 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc(I)c1O ZINC000102084860 554876243 /nfs/dbraw/zinc/87/62/43/554876243.db2.gz ZZBIKJGJJNREBG-QFIPXVFZSA-N 1 0 561.445 5.444 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088941 554877224 /nfs/dbraw/zinc/87/72/24/554877224.db2.gz QRONMDNVNOXLIB-PGUFJCEWSA-N 1 0 547.743 7.211 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102095388 554879142 /nfs/dbraw/zinc/87/91/42/554879142.db2.gz QCQWUFVKUVWGHE-UHFFFAOYSA-N 1 0 581.605 6.269 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098987 554880742 /nfs/dbraw/zinc/88/07/42/554880742.db2.gz BZAJHVYCKFSBJP-AHKZPQOWSA-N 1 0 538.610 6.448 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC000102102942 554882040 /nfs/dbraw/zinc/88/20/40/554882040.db2.gz JBEXRIIBDQMXEE-UHFFFAOYSA-N 1 0 540.510 7.343 50 0 KKAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102129595 554884387 /nfs/dbraw/zinc/88/43/87/554884387.db2.gz MYTYDDLZZYTHBV-UHFFFAOYSA-N 1 0 605.755 5.777 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000102130041 554884903 /nfs/dbraw/zinc/88/49/03/554884903.db2.gz FVFVITDRRCLTCL-UHFFFAOYSA-N 1 0 606.211 6.325 50 0 KKAARO CC[C@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)C1)c1ccccc1 ZINC000102136070 554887762 /nfs/dbraw/zinc/88/77/62/554887762.db2.gz IPSDASVBSOCDAK-JZRGNDHQSA-N 1 0 565.680 6.272 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000102205594 554896292 /nfs/dbraw/zinc/89/62/92/554896292.db2.gz VQLQOWKGCDRDMX-UHFFFAOYSA-N 1 0 547.167 6.480 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000102254117 554904204 /nfs/dbraw/zinc/90/42/04/554904204.db2.gz VGZUEQGSTMMCAP-QABMSTFYSA-N 1 0 543.777 6.065 50 0 KKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000102327576 554912349 /nfs/dbraw/zinc/91/23/49/554912349.db2.gz RQXAFPGUHVTCBJ-QFIPXVFZSA-N 1 0 577.150 5.941 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000102385494 554918685 /nfs/dbraw/zinc/91/86/85/554918685.db2.gz CDESROGVNQLJRQ-UHFFFAOYSA-N 1 0 547.508 5.213 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)CC1 ZINC000102399570 554919472 /nfs/dbraw/zinc/91/94/72/554919472.db2.gz HAJNTHXQEZFDJV-JOCHJYFZSA-N 1 0 584.035 5.794 50 0 KKAARO C[C@@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000102418944 554925137 /nfs/dbraw/zinc/92/51/37/554925137.db2.gz JBEXHAZKPQWIPY-OAQYLSRUSA-N 1 0 546.593 6.911 50 0 KKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(C2CCCCC2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000102462688 554935329 /nfs/dbraw/zinc/93/53/29/554935329.db2.gz QCBYAOIKIDMRAQ-UHFFFAOYSA-N 1 0 554.529 6.109 50 0 KKAARO FC(F)Oc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000102467962 554935916 /nfs/dbraw/zinc/93/59/16/554935916.db2.gz AKTRUFFRYKLPSC-RUZDIDTESA-N 1 0 554.435 6.586 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCC2CCCCC2)CC1 ZINC000102477664 554937040 /nfs/dbraw/zinc/93/70/40/554937040.db2.gz DCVMXIWTODDQST-MFMCTBQISA-N 1 0 567.218 5.838 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000102602004 554977979 /nfs/dbraw/zinc/97/79/79/554977979.db2.gz UULKQYNYICGLSP-SSEXGKCCSA-N 1 0 557.691 5.353 50 0 KKAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000102614342 554984031 /nfs/dbraw/zinc/98/40/31/554984031.db2.gz JGYIQDWUMOGBQM-CSKARUKUSA-N 1 0 570.662 5.067 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000102661974 555000735 /nfs/dbraw/zinc/00/07/35/555000735.db2.gz LWOYYHVMOCKPJU-HKBQPEDESA-N 1 0 585.789 5.815 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102668450 555002168 /nfs/dbraw/zinc/00/21/68/555002168.db2.gz CKDUDHCDIRJFPB-GJDRTLBCSA-N 1 0 543.708 6.358 50 0 KKAARO O=C1c2cccc(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000102673341 555002880 /nfs/dbraw/zinc/00/28/80/555002880.db2.gz AJSVTTMOBOHOFK-RUZDIDTESA-N 1 0 534.685 5.286 50 0 KKAARO COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ncccn2)cc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000102706570 555015124 /nfs/dbraw/zinc/01/51/24/555015124.db2.gz CHIKPEOLRKOTIG-UHFFFAOYSA-N 1 0 541.051 6.112 50 0 KKAARO O=C(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000102742489 555032062 /nfs/dbraw/zinc/03/20/62/555032062.db2.gz FCXWHFABEBCODL-UHFFFAOYSA-N 1 0 551.068 5.069 50 0 KKAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102745411 555037190 /nfs/dbraw/zinc/03/71/90/555037190.db2.gz VGAMAJUYWVALNG-SSEXGKCCSA-N 1 0 558.748 5.729 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1ccccc1F ZINC000102745418 555037422 /nfs/dbraw/zinc/03/74/22/555037422.db2.gz DLOIDXSKXKXMNZ-NDEPHWFRSA-N 1 0 548.684 5.135 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746807 555039595 /nfs/dbraw/zinc/03/95/95/555039595.db2.gz FKMWAADKCPNCJD-GDLZYMKVSA-N 1 0 560.720 5.006 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3cc(OC)cc(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772391 555061153 /nfs/dbraw/zinc/06/11/53/555061153.db2.gz ALMTVVIRFUCBIO-UHFFFAOYSA-N 1 0 545.676 6.256 50 0 KKAARO CCOc1ccc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000102772869 555061717 /nfs/dbraw/zinc/06/17/17/555061717.db2.gz MGCCBULCKUDISQ-UHFFFAOYSA-N 1 0 569.259 7.792 50 0 KKAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773182 555061819 /nfs/dbraw/zinc/06/18/19/555061819.db2.gz NMKQMWBVFHUUAV-LGGPFLRQSA-N 1 0 599.147 5.590 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000102774098 555062401 /nfs/dbraw/zinc/06/24/01/555062401.db2.gz QCLMDBILUFZNNQ-NCELDCMTSA-N 1 0 544.559 5.947 50 0 KKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000102788275 555068262 /nfs/dbraw/zinc/06/82/62/555068262.db2.gz ZKHYBJAEAGBVPB-OHIZRGPFSA-N 1 0 581.826 7.838 50 0 KKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000102788271 555068306 /nfs/dbraw/zinc/06/83/06/555068306.db2.gz ZKHYBJAEAGBVPB-QVFOYXOTSA-N 1 0 581.826 7.838 50 0 KKAARO CCN(CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)c1cccc(C)c1 ZINC000102790136 555068781 /nfs/dbraw/zinc/06/87/81/555068781.db2.gz NGOASAVLSADVGW-UHFFFAOYSA-N 1 0 585.774 5.672 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102792006 555069241 /nfs/dbraw/zinc/06/92/41/555069241.db2.gz MDSMCQWVLLPRIT-SJIPCVTESA-N 1 0 555.788 7.307 50 0 KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CC[NH+](Cc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000102815753 555075972 /nfs/dbraw/zinc/07/59/72/555075972.db2.gz NHHDUKVEPZZABU-UHFFFAOYSA-N 1 0 606.810 9.730 50 0 KKAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000102832076 555079157 /nfs/dbraw/zinc/07/91/57/555079157.db2.gz SNKGYLYAUOBBSR-UHFFFAOYSA-N 1 0 548.490 5.057 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000102832212 555079179 /nfs/dbraw/zinc/07/91/79/555079179.db2.gz PKTHVNBCLVDBDJ-UHFFFAOYSA-N 1 0 548.490 5.057 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102849387 555084700 /nfs/dbraw/zinc/08/47/00/555084700.db2.gz NZOJQHDKNKEPRS-HXUWFJFHSA-N 1 0 595.632 6.801 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OCC ZINC000102851776 555085955 /nfs/dbraw/zinc/08/59/55/555085955.db2.gz RJGJXEXPZDTRON-HKBQPEDESA-N 1 0 619.778 5.911 50 0 KKAARO C[N@@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909619 555142408 /nfs/dbraw/zinc/14/24/08/555142408.db2.gz ZUPYTLZMYSMXSB-PMERELPUSA-N 1 0 538.091 6.791 50 0 KKAARO CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936874 555164795 /nfs/dbraw/zinc/16/47/95/555164795.db2.gz YKZOTUBVQFVUAC-MUUNZHRXSA-N 1 0 548.684 5.135 50 0 KKAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000102937562 555165739 /nfs/dbraw/zinc/16/57/39/555165739.db2.gz ZRZZJVAOTLZBAC-YFUMRVTCSA-N 1 0 536.031 5.423 50 0 KKAARO CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102940672 555169413 /nfs/dbraw/zinc/16/94/13/555169413.db2.gz KKJRZVJAANAPNF-LJAQVGFWSA-N 1 0 544.721 5.304 50 0 KKAARO O=C(NCCc1ccccn1)c1cccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000102942992 555170820 /nfs/dbraw/zinc/17/08/20/555170820.db2.gz LAEDKAJQDPBYLV-UHFFFAOYSA-N 1 0 600.792 6.126 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103020578 555211913 /nfs/dbraw/zinc/21/19/13/555211913.db2.gz KVOPPVNBBRSAOY-NLGDKJDOSA-N 1 0 573.753 6.995 50 0 KKAARO COc1ccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c(OC)c1 ZINC000103024147 555214581 /nfs/dbraw/zinc/21/45/81/555214581.db2.gz PAAWGVNGVAIMJX-UHFFFAOYSA-N 1 0 571.722 5.733 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000103031555 555219368 /nfs/dbraw/zinc/21/93/68/555219368.db2.gz VPMSIDSZVUDOSB-UHFFFAOYSA-N 1 0 557.566 5.873 50 0 KKAARO COc1ccc2c(c1)c(CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103040856 555224964 /nfs/dbraw/zinc/22/49/64/555224964.db2.gz ZOMGMPAHDWPKNK-UHFFFAOYSA-N 1 0 565.501 5.887 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000103061140 555242355 /nfs/dbraw/zinc/24/23/55/555242355.db2.gz DWAXCDXZFAGKQZ-BDYUSTAISA-N 1 0 545.655 5.787 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000103068835 555249516 /nfs/dbraw/zinc/24/95/16/555249516.db2.gz GTOJOTBGUDHPAO-DWEWYUIOSA-N 1 0 601.835 8.417 50 0 KKAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F)C(C)C ZINC000103070674 555251407 /nfs/dbraw/zinc/25/14/07/555251407.db2.gz OKZYCYOGYADLAE-UHFFFAOYSA-N 1 0 541.039 5.918 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103072373 555252235 /nfs/dbraw/zinc/25/22/35/555252235.db2.gz QLZZUCUHPCZKRD-MGBGTMOVSA-N 1 0 583.817 6.717 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C)cc1 ZINC000103072337 555252252 /nfs/dbraw/zinc/25/22/52/555252252.db2.gz RBSNECYWIUTGIK-UHFFFAOYSA-N 1 0 536.547 7.657 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103072369 555252381 /nfs/dbraw/zinc/25/23/81/555252381.db2.gz QLZZUCUHPCZKRD-XIFFEERXSA-N 1 0 583.817 6.717 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2cccc(Cl)c2)s1 ZINC000103186620 555331773 /nfs/dbraw/zinc/33/17/73/555331773.db2.gz LCLNDGONTJNTOB-UHFFFAOYSA-N 1 0 557.135 6.398 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103191405 555333637 /nfs/dbraw/zinc/33/36/37/555333637.db2.gz WBMKPFZYOSSBSL-UHFFFAOYSA-N 1 0 574.667 6.567 50 0 KKAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252353 555344467 /nfs/dbraw/zinc/34/44/67/555344467.db2.gz DAHQMVXFKNDONZ-VBTAUBHQSA-N 1 0 623.798 5.667 50 0 KKAARO O=C(c1cccnc1Cl)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301593 555355781 /nfs/dbraw/zinc/35/57/81/555355781.db2.gz UCRAIYNHBOWGOB-SQJMNOBHSA-N 1 0 529.006 5.432 50 0 KKAARO O=C(c1cccnc1Cl)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301590 555355820 /nfs/dbraw/zinc/35/58/20/555355820.db2.gz UCRAIYNHBOWGOB-PXDATVDWSA-N 1 0 529.006 5.432 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103386951 555374275 /nfs/dbraw/zinc/37/42/75/555374275.db2.gz STSPBKQRPXHSAT-HHHXNRCGSA-N 1 0 533.619 6.041 50 0 KKAARO CN(c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000103389363 555375402 /nfs/dbraw/zinc/37/54/02/555375402.db2.gz HRJXOXUZSUYBKQ-UHFFFAOYSA-N 1 0 565.778 7.098 50 0 KKAARO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000103396950 555382642 /nfs/dbraw/zinc/38/26/42/555382642.db2.gz ZDTZNKPFXWWWFK-UHFFFAOYSA-N 1 0 532.062 5.020 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103411254 555396934 /nfs/dbraw/zinc/39/69/34/555396934.db2.gz SPFZTCMBWSHFIP-IEWVHIKDSA-N 1 0 555.763 6.856 50 0 KKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103420675 555401003 /nfs/dbraw/zinc/40/10/03/555401003.db2.gz QEDWBELVRNWPNG-PGUFJCEWSA-N 1 0 571.765 7.311 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1 ZINC000103420799 555401373 /nfs/dbraw/zinc/40/13/73/555401373.db2.gz ROMRFNMMHUQUKN-VZWFPNHASA-N 1 0 615.862 8.726 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1)NCC[NH+]1CCCC1 ZINC000103427961 555409856 /nfs/dbraw/zinc/40/98/56/555409856.db2.gz WSIVYFJJHYTKNP-UMSFTDKQSA-N 1 0 557.738 7.003 50 0 KKAARO Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)cc2-c2ccccc2)cc1 ZINC000103562213 555449478 /nfs/dbraw/zinc/44/94/78/555449478.db2.gz SGGZPZOAXPPTER-SJARJILFSA-O 1 0 620.776 10.026 50 0 KKAARO c1ccc(-c2ccc([C@H](c3ccccc3)N3CC[NH+]([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625591 555457374 /nfs/dbraw/zinc/45/73/74/555457374.db2.gz GPNHYCAEFDGVBC-COCZKOEFSA-N 1 0 570.780 9.517 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000103664972 555461584 /nfs/dbraw/zinc/46/15/84/555461584.db2.gz SCWTYNCFUUQFSR-IEOSBIPESA-N 1 0 512.764 5.514 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290827 562851836 /nfs/dbraw/zinc/85/18/36/562851836.db2.gz WBNPBXSTUXIXRN-JDLYIZNLSA-N 1 0 550.124 5.519 50 0 KKAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000251975272 562881684 /nfs/dbraw/zinc/88/16/84/562881684.db2.gz DEXFPUZLJYSAEO-KJVQYFSDSA-N 1 0 527.624 5.417 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257116 562881710 /nfs/dbraw/zinc/88/17/10/562881710.db2.gz MYKURCFTIZBVPS-JXUFNTQASA-N 1 0 574.718 6.089 50 0 KKAARO CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000049649936 571360766 /nfs/dbraw/zinc/36/07/66/571360766.db2.gz PVORPPZFOCAFCM-NCRFVDKVSA-N 1 0 511.021 6.054 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288119 571361570 /nfs/dbraw/zinc/36/15/70/571361570.db2.gz WSIZNCCWQBZODB-JWXXLELASA-N 1 0 584.672 6.466 50 0 KKAARO O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2cc3ccccc3o2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000103528038 571361704 /nfs/dbraw/zinc/36/17/04/571361704.db2.gz KFHVULANIPBEHT-ACZXLBTNSA-N 1 0 571.032 7.068 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000103899943 571368950 /nfs/dbraw/zinc/36/89/50/571368950.db2.gz WBNSZLXBDDJMBW-VXQMPNGUSA-N 1 0 541.921 5.891 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103899898 571368969 /nfs/dbraw/zinc/36/89/69/571368969.db2.gz ZRXMRYXHPCGGLA-YTMVLYRLSA-N 1 0 529.482 5.414 50 0 KKAARO C[NH+](C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000104796763 571386250 /nfs/dbraw/zinc/38/62/50/571386250.db2.gz GWOYUVWVYNXRCY-UHFFFAOYSA-N 1 0 568.831 6.956 50 0 KKAARO O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920025 571387860 /nfs/dbraw/zinc/38/78/60/571387860.db2.gz CHRHPKPBYVNEJL-ATIYNZHBSA-N 1 0 515.526 5.528 50 0 KKAARO Cc1ccsc1C[N@H+]1C[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105041840 571390166 /nfs/dbraw/zinc/39/01/66/571390166.db2.gz PAOFDPRIIUQEQT-ZEQKJWHPSA-N 1 0 532.647 7.228 50 0 KKAARO COc1ccccc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105042589 571390368 /nfs/dbraw/zinc/39/03/68/571390368.db2.gz WBRNZEMHVSKXTL-IGKIAQTJSA-N 1 0 528.590 6.620 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000105062181 571391094 /nfs/dbraw/zinc/39/10/94/571391094.db2.gz ZUBFLAGZJNQECR-DNOBIOAJSA-N 1 0 596.577 5.453 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@@H]([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348475 571412197 /nfs/dbraw/zinc/41/21/97/571412197.db2.gz ZQUBRKJSKNTGGQ-WAABAYLZSA-N 1 0 528.958 5.675 50 0 KKAARO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@H]1O)[C@H](OC(=O)c1ccccc1)C[C@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000106533499 571412796 /nfs/dbraw/zinc/41/27/96/571412796.db2.gz ZGJNBFONRAJFJM-FOTFSTKTSA-N 1 0 556.723 5.386 50 0 biogenic KKAARO O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000106807368 571418409 /nfs/dbraw/zinc/41/84/09/571418409.db2.gz MTWJPWIHXNEMOQ-TVXPCSCSSA-N 1 0 520.585 5.869 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108473048 571425842 /nfs/dbraw/zinc/42/58/42/571425842.db2.gz XVZJUSYOQZVBQP-LYFUMMLNSA-N 1 0 620.882 7.184 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108487095 571425981 /nfs/dbraw/zinc/42/59/81/571425981.db2.gz WOMIVVVCLHIQKL-ANJHFFSRSA-N 1 0 610.843 6.777 50 0 KKAARO Clc1ccc2c(c1)C[C@@H](S[C@@H](CC[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800582 571426598 /nfs/dbraw/zinc/42/65/98/571426598.db2.gz FRNBINOLPGJIEE-UZNNEEJFSA-N 1 0 571.255 8.771 50 0 KKAARO CCNC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000136634643 571449648 /nfs/dbraw/zinc/44/96/48/571449648.db2.gz BWJMCTQSZCKFTL-UHFFFAOYSA-N 1 0 611.583 6.773 50 0 KKAARO CCOC(=O)c1cc(NCC[N@H+](C)CC2c3ccccc3CCc3ccccc32)c2c(Cl)cc(Cl)cc2n1 ZINC000136995265 571449947 /nfs/dbraw/zinc/44/99/47/571449947.db2.gz VABJDDDEODZXRM-UHFFFAOYSA-N 1 0 548.514 6.993 50 0 KKAARO OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cn3)cc2)CC1 ZINC000137007630 571449973 /nfs/dbraw/zinc/44/99/73/571449973.db2.gz ZZLQISPPQPGJMA-UHFFFAOYSA-N 1 0 621.021 8.713 50 0 KKAARO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000141317904 571455917 /nfs/dbraw/zinc/45/59/17/571455917.db2.gz SCSHFWQKWPLNEB-XLJNKUFUSA-N 1 0 555.516 7.131 50 0 KKAARO C(=C\c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1)\C=C1\C=C(c2ccccc2)C=C(c2ccccc2)S1 ZINC000148113905 571457012 /nfs/dbraw/zinc/45/70/12/571457012.db2.gz AXHSYLRSELQIMX-UHFFFAOYSA-N 1 0 535.757 11.132 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344816 571459457 /nfs/dbraw/zinc/45/94/57/571459457.db2.gz JLVIBXZXLSSJGK-CLJLJLNGSA-N 1 0 848.272 7.992 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000150346463 571460480 /nfs/dbraw/zinc/46/04/80/571460480.db2.gz CEERNENOLDVHOO-NDEPHWFRSA-N 1 0 669.770 5.086 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150388986 571471372 /nfs/dbraw/zinc/47/13/72/571471372.db2.gz SLUVGICQBKSTCV-UHFFFAOYSA-N 1 0 636.494 9.244 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389009 571471376 /nfs/dbraw/zinc/47/13/76/571471376.db2.gz KMUZTENSQQKEPS-UHFFFAOYSA-N 1 0 669.737 8.907 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389227 571471671 /nfs/dbraw/zinc/47/16/71/571471671.db2.gz STXMXVOTSRYBBS-LFIBNONCSA-N 1 0 681.748 8.971 50 0 KKAARO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389309 571471692 /nfs/dbraw/zinc/47/16/92/571471692.db2.gz KDBFKEDWKXJOHB-UHFFFAOYSA-N 1 0 660.129 9.298 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150390550 571472862 /nfs/dbraw/zinc/47/28/62/571472862.db2.gz ZOSCSUAYGWJANS-LJAQVGFWSA-N 1 0 652.192 5.199 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414242 571484992 /nfs/dbraw/zinc/48/49/92/571484992.db2.gz YGZMRESDSFEGSK-XIFFEERXSA-N 1 0 671.864 5.191 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414543 571485045 /nfs/dbraw/zinc/48/50/45/571485045.db2.gz AJDHOFHQNNIJHY-YTTGMZPUSA-N 1 0 657.837 5.195 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414343 571485138 /nfs/dbraw/zinc/48/51/38/571485138.db2.gz XZOXWMKYKSGKLR-YTTGMZPUSA-N 1 0 675.827 5.334 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677357 571554815 /nfs/dbraw/zinc/55/48/15/571554815.db2.gz MGLFGDLKKIEGCG-QXNWPYRLSA-N 1 0 529.750 5.801 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000169680769 571556957 /nfs/dbraw/zinc/55/69/57/571556957.db2.gz RFNCQQRMQIRZNF-VLCYVYKISA-N 1 0 545.793 5.670 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000169771693 571560120 /nfs/dbraw/zinc/56/01/20/571560120.db2.gz ZAACMHXAXWPKNY-LEUQSAOGSA-N 1 0 555.719 5.673 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000169784769 571560474 /nfs/dbraw/zinc/56/04/74/571560474.db2.gz MZHCOPLNARTXDR-KFCPHXPSSA-N 1 0 551.131 5.202 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)occ3-c1ccc(F)cc1 ZINC000170613400 571561930 /nfs/dbraw/zinc/56/19/30/571561930.db2.gz NKGBULQLZAQTFL-IBVKSMDESA-N 1 0 502.586 5.577 50 0 KKAARO Clc1cccc(Cl)c1Cn1nc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261492585 572110921 /nfs/dbraw/zinc/11/09/21/572110921.db2.gz ZTLIOWVEZWRTOQ-UHFFFAOYSA-N 1 0 551.507 5.548 50 0 KKAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299784112 572136150 /nfs/dbraw/zinc/13/61/50/572136150.db2.gz WJYBFZFQILXRFD-UHFFFAOYSA-N 1 0 598.691 5.271 50 0 KKAARO O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000229984849 572176596 /nfs/dbraw/zinc/17/65/96/572176596.db2.gz RIGHMIVMDXYPQN-DZHULAFLSA-N 1 0 581.491 6.492 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC[C@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000229987104 572177198 /nfs/dbraw/zinc/17/71/98/572177198.db2.gz JGPPKNUAZRWESR-PVWMIVDTSA-N 1 0 561.694 6.497 50 0 biogenic KKAARO C[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077237 572182605 /nfs/dbraw/zinc/18/26/05/572182605.db2.gz QEURWTABXZDXKQ-NSOVKSMOSA-N 1 0 501.696 5.610 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228532 572205460 /nfs/dbraw/zinc/20/54/60/572205460.db2.gz JGNGLITYQVEAHL-ZIIROOFJSA-N 1 0 570.803 5.997 50 0 KKAARO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245245642 572217794 /nfs/dbraw/zinc/21/77/94/572217794.db2.gz FMKKTXZITMUIJJ-FQUZAXHOSA-N 1 0 551.952 5.821 50 0 KKAARO FC(F)Oc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000245309427 572227655 /nfs/dbraw/zinc/22/76/55/572227655.db2.gz CTHQDRHOBNALTE-WUFINQPMSA-N 1 0 515.604 6.701 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000245343078 572237411 /nfs/dbraw/zinc/23/74/11/572237411.db2.gz DWAXCDXZFAGKQZ-XNMGPUDCSA-N 1 0 545.655 5.787 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343377 572238480 /nfs/dbraw/zinc/23/84/80/572238480.db2.gz NDXPHCQJFPTDEB-FNWWCKPFSA-N 1 0 527.734 5.257 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343404 572238636 /nfs/dbraw/zinc/23/86/36/572238636.db2.gz NYUDNNDZEZYLFM-XRHLQHRESA-N 1 0 560.522 5.905 50 0 KKAARO Cc1cccc(C[N@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000245343449 572238919 /nfs/dbraw/zinc/23/89/19/572238919.db2.gz PCYPAXKKKZBVFE-LEAFIULHSA-N 1 0 562.579 6.037 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459665 572242210 /nfs/dbraw/zinc/24/22/10/572242210.db2.gz AKLWVYCKPKUJCH-FQEVSTJZSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482622 572242379 /nfs/dbraw/zinc/24/23/79/572242379.db2.gz JNAKOLFAGAUTIQ-FQEVSTJZSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488262 572242400 /nfs/dbraw/zinc/24/24/00/572242400.db2.gz LLMGXIPNHFPWMU-FQEVSTJZSA-N 1 0 582.340 6.079 50 0 KKAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494814 572242629 /nfs/dbraw/zinc/24/26/29/572242629.db2.gz NUTOGOBFQCCGMH-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526627 572242918 /nfs/dbraw/zinc/24/29/18/572242918.db2.gz ZKUYSKBEBNXWOD-OAQYLSRUSA-N 1 0 503.444 5.316 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247724772 572243860 /nfs/dbraw/zinc/24/38/60/572243860.db2.gz CYNIITRKXQWVPM-SFHVURJKSA-N 1 0 507.407 5.778 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247736914 572244229 /nfs/dbraw/zinc/24/42/29/572244229.db2.gz LJPMGWFWZOKQBI-SFHVURJKSA-N 1 0 507.407 5.778 50 0 KKAARO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739660 572244257 /nfs/dbraw/zinc/24/42/57/572244257.db2.gz MWXMBQXJOFZRQA-GOSISDBHSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247758774 572244681 /nfs/dbraw/zinc/24/46/81/572244681.db2.gz ZCPQVKWUKDDWQR-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247757116 572244796 /nfs/dbraw/zinc/24/47/96/572244796.db2.gz XYCWWDFFYKGRHQ-GOSISDBHSA-N 1 0 507.407 5.778 50 0 KKAARO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247759698 572244984 /nfs/dbraw/zinc/24/49/84/572244984.db2.gz ZXVUQBALAWJPAL-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247840799 572245914 /nfs/dbraw/zinc/24/59/14/572245914.db2.gz FJVUTYANCLFBOR-HSZRJFAPSA-N 1 0 564.080 5.577 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247839124 572245930 /nfs/dbraw/zinc/24/59/30/572245930.db2.gz DWNZHSXQBYYBMB-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247841026 572245944 /nfs/dbraw/zinc/24/59/44/572245944.db2.gz FLUYFQCDVMSAFA-QHCPKHFHSA-N 1 0 558.524 5.349 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247868515 572247134 /nfs/dbraw/zinc/24/71/34/572247134.db2.gz PTAQYLFHRYBJMG-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)C3)nc3ccccc32)cc1 ZINC000247881104 572247905 /nfs/dbraw/zinc/24/79/05/572247905.db2.gz JBZHCTYZANZDCZ-VWLOTQADSA-N 1 0 591.678 5.673 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c(C)c1 ZINC000247876265 572248138 /nfs/dbraw/zinc/24/81/38/572248138.db2.gz ONLVXUZMKTUAIB-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247882591 572248284 /nfs/dbraw/zinc/24/82/84/572248284.db2.gz WDIWEMSLPMBZMG-DEOSSOPVSA-N 1 0 596.097 6.318 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247882595 572248419 /nfs/dbraw/zinc/24/84/19/572248419.db2.gz WDIWEMSLPMBZMG-XMMPIXPASA-N 1 0 596.097 6.318 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000247895488 572248674 /nfs/dbraw/zinc/24/86/74/572248674.db2.gz XFXKCKRXMMGOGZ-RUZDIDTESA-N 1 0 525.672 5.342 50 0 KKAARO CCCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247972619 572251287 /nfs/dbraw/zinc/25/12/87/572251287.db2.gz DOSXXQFLPXVCMN-OAQYLSRUSA-N 1 0 511.508 6.039 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248012033 572252168 /nfs/dbraw/zinc/25/21/68/572252168.db2.gz JGIYYOLCDWVHMV-XCZPVHLTSA-N 1 0 504.556 5.361 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](CC2CCCCC2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248031593 572252730 /nfs/dbraw/zinc/25/27/30/572252730.db2.gz XSLRPMKHGXJIJI-SQHAQQRYSA-N 1 0 504.612 6.991 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083674 572253215 /nfs/dbraw/zinc/25/32/15/572253215.db2.gz DQVFRHXIWXRRCN-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248111410 572253690 /nfs/dbraw/zinc/25/36/90/572253690.db2.gz SDKSCOATSSTLML-RBJSKKJNSA-N 1 0 512.591 6.919 50 0 KKAARO CCc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248112813 572253814 /nfs/dbraw/zinc/25/38/14/572253814.db2.gz TWMAHXODAVPQFG-MUAVYFROSA-N 1 0 515.723 5.330 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000248132744 572254769 /nfs/dbraw/zinc/25/47/69/572254769.db2.gz BJBLNPCNODJRDX-NLCLVCPQSA-N 1 0 558.609 6.124 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c(OC)c1 ZINC000248140424 572255230 /nfs/dbraw/zinc/25/52/30/572255230.db2.gz PLWQDHYCKXVZKF-CPONHVLOSA-N 1 0 586.644 5.694 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000248146196 572255399 /nfs/dbraw/zinc/25/53/99/572255399.db2.gz SJPVAXGBPOKESA-MXMCVKMKSA-N 1 0 586.644 5.694 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@H](c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000248175808 572256282 /nfs/dbraw/zinc/25/62/82/572256282.db2.gz YZHCZWLUIAZWEZ-NFGXINMFSA-N 1 0 526.023 8.397 50 0 KKAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000248199307 572256669 /nfs/dbraw/zinc/25/66/69/572256669.db2.gz UCFQKCDRLWOBKQ-SSEXGKCCSA-N 1 0 565.805 5.306 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248211465 572256696 /nfs/dbraw/zinc/25/66/96/572256696.db2.gz DNBQODSTDCIEPN-SVEHJYQDSA-N 1 0 542.617 6.867 50 0 KKAARO CCc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007403 572259745 /nfs/dbraw/zinc/25/97/45/572259745.db2.gz PQYGQNYRYYTAHV-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241534 572259810 /nfs/dbraw/zinc/25/98/10/572259810.db2.gz KIMWTZLUPPMJNU-MUUNZHRXSA-N 1 0 570.181 6.422 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011717 572259908 /nfs/dbraw/zinc/25/99/08/572259908.db2.gz SKTAGOOLYNIFJI-VWLOTQADSA-N 1 0 586.578 5.911 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253054 572259915 /nfs/dbraw/zinc/25/99/15/572259915.db2.gz LZOIFNWXAUTNQS-AREMUKBSSA-N 1 0 600.605 6.472 50 0 KKAARO CCCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252310933 572259992 /nfs/dbraw/zinc/25/99/92/572259992.db2.gz RPGAKFDATPNBEX-QFIPXVFZSA-N 1 0 531.498 6.591 50 0 KKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000252430859 572260744 /nfs/dbraw/zinc/26/07/44/572260744.db2.gz OUDOPQGDHPZRET-LEAFIULHSA-N 1 0 548.716 5.457 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)CC1 ZINC000252511178 572262123 /nfs/dbraw/zinc/26/21/23/572262123.db2.gz DRCOCFDINNOWNZ-NOOLENRPSA-N 1 0 554.156 5.998 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585319 572264543 /nfs/dbraw/zinc/26/45/43/572264543.db2.gz HSEDMGOCZZYPGG-KLYHJDAGSA-N 1 0 708.731 5.231 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373030 572282163 /nfs/dbraw/zinc/28/21/63/572282163.db2.gz HMSACZQRUSJPKE-ZPULPCPSSA-N 1 0 598.655 6.186 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607350 572300899 /nfs/dbraw/zinc/30/08/99/572300899.db2.gz OSXGUIWLZRQMGJ-AREMUKBSSA-N 1 0 600.605 6.301 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607346 572300906 /nfs/dbraw/zinc/30/09/06/572300906.db2.gz OQJGNVHGCCEQBU-SANMLTNESA-N 1 0 600.605 6.301 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607600 572301024 /nfs/dbraw/zinc/30/10/24/572301024.db2.gz ZDYVIJNYFJAFTP-HHHXNRCGSA-N 1 0 570.181 6.422 50 0 KKAARO CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257349050 572321442 /nfs/dbraw/zinc/32/14/42/572321442.db2.gz LDLFMTWFFWGZLY-QJHMQCCUSA-N 1 0 511.835 8.424 50 0 KKAARO CCCC[C@H]1Oc2ccccc2[C@@H]1C(=O)c1ccc(OCC[NH+](CC)CC)c(I)c1 ZINC000514268740 1069726257 /nfs/dbraw/zinc/72/62/57/1069726257.db2.gz GXGVTWJXMNXSIR-RPWUZVMVSA-N 1 0 521.439 5.930 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524734349 1069837615 /nfs/dbraw/zinc/83/76/15/1069837615.db2.gz VNYYKQSVMBBOAN-BZFILIQBSA-N 1 0 583.216 7.864 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033084 1069840492 /nfs/dbraw/zinc/84/04/92/1069840492.db2.gz ZBTHVDIHGHVTCF-MUUNZHRXSA-N 1 0 553.703 6.348 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1OC ZINC000102020659 1069840744 /nfs/dbraw/zinc/84/07/44/1069840744.db2.gz NTJCENNQVAJCFU-NDEPHWFRSA-N 1 0 583.729 6.356 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 ZINC000102680992 1069862071 /nfs/dbraw/zinc/86/20/71/1069862071.db2.gz RBRBFWGFYMYOGS-IUDBTDONSA-N 1 0 523.652 5.710 50 0 KKAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1Cl ZINC000102457774 1069857918 /nfs/dbraw/zinc/85/79/18/1069857918.db2.gz JCFRAOYSRZIXEY-IZEXYCQBSA-N 1 0 541.095 5.363 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000102597379 1069860532 /nfs/dbraw/zinc/86/05/32/1069860532.db2.gz JZSGRUQDTSBXMS-UHFFFAOYSA-N 1 0 543.689 5.099 50 0 KKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(Cc2cccn2-c2ncccn2)C3)C1 ZINC000102705214 1069863422 /nfs/dbraw/zinc/86/34/22/1069863422.db2.gz CLVQQVIPTHHZFP-HSZRJFAPSA-N 1 0 544.099 5.703 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1cccc(Cl)c1 ZINC000102708354 1069864815 /nfs/dbraw/zinc/86/48/15/1069864815.db2.gz PXRXIUVGVXAWEF-OZXSUGGESA-N 1 0 533.997 5.590 50 0 KKAARO CC(C)N1C[C@H]([NH2+]Cc2cccc3ccccc32)C[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020254598 1070174601 /nfs/dbraw/zinc/17/46/01/1070174601.db2.gz SUIJUSGCNQOQHA-NAKRPHOHSA-N 1 0 524.631 5.148 50 0 KKAARO FC(F)(F)c1ccc2c(c1)N(CCCN1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)c1ccccc1S2 ZINC000023549847 1070894585 /nfs/dbraw/zinc/89/45/85/1070894585.db2.gz VIYFHPKMQJDBRN-UHFFFAOYSA-N 1 0 527.700 7.141 50 0 KKAARO CC1(C)CC(/C=C/C=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)=C/C(=C\C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)C1 ZINC000685944244 1070937940 /nfs/dbraw/zinc/93/79/40/1070937940.db2.gz GEGWKDZHVSFWJM-UHFFFAOYSA-N 1 0 681.990 14.361 50 0 KKAARO CCN1c2cc(-c3ccccc3)ccc2S/C1=C/C1=C(C)/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000685944659 1070944953 /nfs/dbraw/zinc/94/49/53/1070944953.db2.gz RKYHGSCFDKMDHC-UHFFFAOYSA-N 1 0 625.949 10.600 50 0 KKAARO CCN1c2cc(I)ccc2S/C1=C\C=C\C=C\c1sc2ccc(I)cc2[n+]1CC ZINC000685944327 1070941064 /nfs/dbraw/zinc/94/10/64/1070941064.db2.gz DIFIXJFUWMHIFB-UHFFFAOYSA-N 1 0 643.377 7.461 50 0 KKAARO CC1(C)c2ccccc2[N+](CCCn2c3ccccc3c3ccccc32)=C1/C=C/C=C/C=C1\N(CCCn2c3ccccc3c3ccccc32)c2ccccc2C1(C)C ZINC000685944500 1070942509 /nfs/dbraw/zinc/94/25/09/1070942509.db2.gz KGNJSWBGSHLTKX-UHFFFAOYSA-N 1 0 770.057 13.253 50 0 KKAARO CC(C)[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1cccn1C)C(=O)NC1CCCCC1 ZINC000575442856 1071142067 /nfs/dbraw/zinc/14/20/67/1071142067.db2.gz GTKOPWCMOMGWLI-GHPAMLPFSA-N 1 0 540.752 5.612 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190724 1071238534 /nfs/dbraw/zinc/23/85/34/1071238534.db2.gz UOGPRVMGHIXUAH-LLHNEZGQSA-N 1 0 523.652 6.337 50 0 KKAARO COc1ccc(/C=C/C(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4cccc5ncccc45)c3)CC2)cc1 ZINC000012192155 1071238579 /nfs/dbraw/zinc/23/85/79/1071238579.db2.gz FTAINVWFCSLQEG-DTQAZKPQSA-N 1 0 521.661 5.959 50 0 KKAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000140615793 1071240827 /nfs/dbraw/zinc/24/08/27/1071240827.db2.gz CUHNLQZYAORPIZ-NAKRPHOHSA-N 1 0 558.595 5.065 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000102169482 1071266992 /nfs/dbraw/zinc/26/69/92/1071266992.db2.gz NMPBYYFDMYXIMH-MVSFAKPFSA-N 1 0 584.116 5.953 50 0 KKAARO CC(C)C(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618257390 1071278661 /nfs/dbraw/zinc/27/86/61/1071278661.db2.gz WSHJQMRAJLNKTB-UHFFFAOYSA-N 1 0 576.063 5.650 50 0 KKAARO CC[NH+](CC)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1ccc(C(C)C)cc1 ZINC000606422261 1071275820 /nfs/dbraw/zinc/27/58/20/1071275820.db2.gz IEPGVNUUOGPIMR-HHHXNRCGSA-N 1 0 505.666 7.570 50 0 KKAARO COc1cc(/C=C(\C(=O)N(C)C2CC[NH+](C)CC2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000034745629 1072824790 /nfs/dbraw/zinc/82/47/90/1072824790.db2.gz BDOHKFTUXJTUCO-DIBXZPPDSA-N 1 0 500.639 5.473 50 0 KKAARO O=C(c1ccccc1)[C@@H](N=Nc1ccc(Br)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000254287000 1072842986 /nfs/dbraw/zinc/84/29/86/1072842986.db2.gz DVAFBGPEUPQUNL-YTTGMZPUSA-N 1 0 564.443 7.736 50 0 KKAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014742556 1072891192 /nfs/dbraw/zinc/89/11/92/1072891192.db2.gz PEWOMQNCUIUVRA-LEWJYISDSA-N 1 0 508.581 5.156 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1)Cc1cccc2ccccc21 ZINC000014991366 1072894993 /nfs/dbraw/zinc/89/49/93/1072894993.db2.gz HIXFVOYTFBQRBQ-UHFFFAOYSA-N 1 0 508.618 5.884 50 0 KKAARO COc1ccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000014998278 1072895821 /nfs/dbraw/zinc/89/58/21/1072895821.db2.gz KGQBZFZVCAXQKP-OAQYLSRUSA-N 1 0 506.668 5.488 50 0 KKAARO CC[N@H+]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 ZINC000000988974 551593077 /nfs/dbraw/zinc/59/30/77/551593077.db2.gz OOSZTDJGFNVZTJ-AAKHDSTQSA-N 1 0 527.260 5.692 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(NC(C)=O)cc1 ZINC000001317833 551640963 /nfs/dbraw/zinc/64/09/63/551640963.db2.gz UHXJQHQVPKOXDR-MGBGTMOVSA-N 1 0 547.655 6.528 50 0 biogenic KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000001322173 551641796 /nfs/dbraw/zinc/64/17/96/551641796.db2.gz DTLUTYPHOACBQO-GDLZYMKVSA-N 1 0 505.058 7.084 50 0 biogenic KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000001322862 551642044 /nfs/dbraw/zinc/64/20/44/551642044.db2.gz YPKMITBMJOBYFE-GDLZYMKVSA-N 1 0 514.622 5.812 50 0 biogenic KKAARO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000001796984 551703161 /nfs/dbraw/zinc/70/31/61/551703161.db2.gz FAAAROXCYQEBPW-NDEPHWFRSA-N 1 0 519.110 7.908 50 0 KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002120959 551770703 /nfs/dbraw/zinc/77/07/03/551770703.db2.gz OHZSLZJTZMBORH-JTSJOTPCSA-N 1 0 530.713 5.154 50 0 biogenic KKAARO COc1ccc(OC)c(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)c1 ZINC000002133380 551773071 /nfs/dbraw/zinc/77/30/71/551773071.db2.gz QLLLGFMAOYLOFG-UHFFFAOYSA-N 1 0 520.633 5.795 50 0 biogenic KKAARO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1F)N1NC=NC1=N2 ZINC000002246498 551799803 /nfs/dbraw/zinc/79/98/03/551799803.db2.gz AHHAEFZVLADZFX-BJKOFHAPSA-N 1 0 505.347 5.401 50 0 KKAARO CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000002377168 552107036 /nfs/dbraw/zinc/10/70/36/552107036.db2.gz PDILMFIBHUIWTQ-NDEPHWFRSA-N 1 0 512.606 5.186 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(COc4ccc(F)c(Cl)c4)c2)N3)C1 ZINC000002738030 552170708 /nfs/dbraw/zinc/17/07/08/552170708.db2.gz GWJJRIWGFBLDAF-HSZRJFAPSA-N 1 0 502.011 5.360 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912955 552215558 /nfs/dbraw/zinc/21/55/58/552215558.db2.gz RBYYBZYDHGBSMV-UHFFFAOYSA-N 1 0 534.125 6.648 50 0 KKAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1Br ZINC000002917761 552218391 /nfs/dbraw/zinc/21/83/91/552218391.db2.gz PDRKBKMBQMZHLD-BJKOFHAPSA-N 1 0 505.347 5.401 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccccc3Cl)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034074 552268560 /nfs/dbraw/zinc/26/85/60/552268560.db2.gz RPDQEKLLMWLLMW-UHFFFAOYSA-N 1 0 547.171 6.274 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)N(Cc3c(F)cccc3Cl)C(=O)CS4)CC2)cc1 ZINC000003042030 552273178 /nfs/dbraw/zinc/27/31/78/552273178.db2.gz INVJNNFBTVYMMO-UHFFFAOYSA-N 1 0 552.115 6.068 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)ccc3Sc3ccccc3C2=O)c1 ZINC000003047430 552276133 /nfs/dbraw/zinc/27/61/33/552276133.db2.gz CQXZTYPCFQXTCM-XMMPIXPASA-N 1 0 527.734 6.609 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054271 552279529 /nfs/dbraw/zinc/27/95/29/552279529.db2.gz RDZHWCRXAAHKQC-NRFANRHFSA-N 1 0 506.071 5.866 50 0 KKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054703 552279810 /nfs/dbraw/zinc/27/98/10/552279810.db2.gz NULLBDOMFMVAES-NLRVBDNBSA-N 1 0 550.522 5.567 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003063534 552284162 /nfs/dbraw/zinc/28/41/62/552284162.db2.gz VVXZSLSZNSCJSU-UHFFFAOYSA-N 1 0 568.139 5.575 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003065620 552284580 /nfs/dbraw/zinc/28/45/80/552284580.db2.gz WIESJIYMPKLZLC-BRPDVVIDSA-N 1 0 513.707 6.137 50 0 KKAARO CC1(C)CN(C(=O)c2ccc(Cl)cc2Cl)C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[NH2+]1 ZINC000003116813 552290406 /nfs/dbraw/zinc/29/04/06/552290406.db2.gz VNBMFOKLLQKRLY-UHFFFAOYSA-N 1 0 521.798 5.881 50 0 KKAARO CCC[NH+](CCC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003128833 552291901 /nfs/dbraw/zinc/29/19/01/552291901.db2.gz XTBURPOKYVGMOX-MRXNPFEDSA-N 1 0 561.156 6.565 50 0 KKAARO C[N@@H+]1CCCC[C@H]1CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457005 552389628 /nfs/dbraw/zinc/38/96/28/552389628.db2.gz BMLRPHHVFZAKJX-QFIPXVFZSA-N 1 0 513.549 6.961 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3)C2=O)cc1 ZINC000003586815 552391797 /nfs/dbraw/zinc/39/17/97/552391797.db2.gz UDNPAPNZELJRHL-UQRQXUALSA-N 1 0 523.677 5.958 50 0 KKAARO CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000003588952 552392104 /nfs/dbraw/zinc/39/21/04/552392104.db2.gz QXIIMQSPFQMYFB-WPWMEQJKSA-N 1 0 518.082 5.844 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000003629028 552396193 /nfs/dbraw/zinc/39/61/93/552396193.db2.gz XISMLAMAWBDSCB-LYBDLDKZSA-N 1 0 547.680 5.113 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C1CCCC(/C=C\C2=[N+](C)c3ccc4ccccc4c3C2(C)C)=C1Cl ZINC000004235331 552451594 /nfs/dbraw/zinc/45/15/94/552451594.db2.gz OJIWKZGAIJYISI-UHFFFAOYSA-N 1 0 584.227 10.470 50 0 KKAARO c1nn(-c2ccccc2)c2nc(N3CCCCCC3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000004257308 552453357 /nfs/dbraw/zinc/45/33/57/552453357.db2.gz WPXFZLWEVASSRU-UHFFFAOYSA-N 1 0 543.719 6.108 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004757243 552475929 /nfs/dbraw/zinc/47/59/29/552475929.db2.gz GZALGSHCPGBAGE-MFMCTBQISA-N 1 0 517.645 5.347 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000004761951 552478353 /nfs/dbraw/zinc/47/83/53/552478353.db2.gz UYHIWZFUPPULIK-MHZLTWQESA-N 1 0 598.119 5.161 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761891 552478357 /nfs/dbraw/zinc/47/83/57/552478357.db2.gz NHGXYUHEDHICLB-WJOKGBTCSA-N 1 0 617.791 5.466 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762152 552478742 /nfs/dbraw/zinc/47/87/42/552478742.db2.gz QFXDPQMRLCUPQN-NDEPHWFRSA-N 1 0 610.155 5.031 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762103 552478927 /nfs/dbraw/zinc/47/89/27/552478927.db2.gz CALUVOZRBVVQDV-SSEXGKCCSA-N 1 0 603.764 5.158 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762168 552479114 /nfs/dbraw/zinc/47/91/14/552479114.db2.gz DQAPJJCFGHYTCM-HHHXNRCGSA-N 1 0 598.119 5.161 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000006166801 552556855 /nfs/dbraw/zinc/55/68/55/552556855.db2.gz TWRHJLPEDQFJHW-UHFFFAOYSA-N 1 0 627.675 9.002 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000006166819 552556915 /nfs/dbraw/zinc/55/69/15/552556915.db2.gz LXMILKGWQOGVFN-UHFFFAOYSA-N 1 0 611.657 8.379 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166834 552557205 /nfs/dbraw/zinc/55/72/05/552557205.db2.gz PEGVZBYEYZOTGP-UHFFFAOYSA-N 1 0 616.076 9.051 50 0 KKAARO CCN(CC)c1ccc([C@H]2c3ccccc3C(=O)SC3=C2CC(C)(C)CN3C(=[NH2+])Nc2ccccc2)cc1 ZINC000008385436 552990778 /nfs/dbraw/zinc/99/07/78/552990778.db2.gz WBZLNHWSJZSGKL-NDEPHWFRSA-N 1 0 524.734 7.542 50 0 KKAARO C[N@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C1CCCCC1 ZINC000008432623 553026652 /nfs/dbraw/zinc/02/66/52/553026652.db2.gz WIKNIIMPGCSRCC-UHFFFAOYSA-N 1 0 626.389 8.554 50 0 KKAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000008448385 553055960 /nfs/dbraw/zinc/05/59/60/553055960.db2.gz WYENXXNEOUVJBL-INIZCTEOSA-N 1 0 589.210 7.247 50 0 KKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccc(Br)c5ccccc45)c(Cl)c3)c2c1 ZINC000008453800 553066911 /nfs/dbraw/zinc/06/69/11/553066911.db2.gz YCJYDPUXCYZWBC-UHFFFAOYSA-N 1 0 519.826 8.657 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597058 553091900 /nfs/dbraw/zinc/09/19/00/553091900.db2.gz VJQSFYPPLQDZGD-UHFFFAOYSA-N 1 0 535.733 5.386 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597679 553093846 /nfs/dbraw/zinc/09/38/46/553093846.db2.gz NXAVHOLXGYEYIZ-UHFFFAOYSA-N 1 0 523.722 5.209 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000008749476 553134948 /nfs/dbraw/zinc/13/49/48/553134948.db2.gz ROIRYERHUJQZFL-ZORMNXRFSA-N 1 0 612.771 6.348 50 0 KKAARO CC1(C)CC(NC(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000008766548 553138928 /nfs/dbraw/zinc/13/89/28/553138928.db2.gz GGKFFMDWZALZSB-FQEVSTJZSA-N 1 0 521.105 5.490 50 0 KKAARO CC(=O)Nc1cc(C(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1Sc1ccc(F)cc1 ZINC000008811348 553149023 /nfs/dbraw/zinc/14/90/23/553149023.db2.gz VQDNPAJYFNNGEA-UHFFFAOYSA-N 1 0 505.659 5.886 50 0 KKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)ccc2Sc2ccc(C)cc21 ZINC000008813172 553150666 /nfs/dbraw/zinc/15/06/66/553150666.db2.gz SISWNEYCYIEOOX-UHFFFAOYSA-N 1 0 511.735 7.065 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008817828 553153133 /nfs/dbraw/zinc/15/31/33/553153133.db2.gz VQSRNBNMHNOSTP-JOCHJYFZSA-N 1 0 500.437 5.212 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCC[N@H+](C)C4CCCCC4)CC3)nc2cc1Br ZINC000008911690 553184188 /nfs/dbraw/zinc/18/41/88/553184188.db2.gz HAMZTKDCIFSLLY-UHFFFAOYSA-N 1 0 523.541 5.055 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227749 553222332 /nfs/dbraw/zinc/22/23/32/553222332.db2.gz ABGHVPSECKVUIQ-NRFANRHFSA-N 1 0 539.696 5.120 50 0 KKAARO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@H]1c1ccccc1 ZINC000009272027 553231520 /nfs/dbraw/zinc/23/15/20/553231520.db2.gz DBGVNYDZFAVFHZ-CZNDPXEESA-N 1 0 520.717 6.661 50 0 KKAARO COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1OC ZINC000009345815 553244228 /nfs/dbraw/zinc/24/42/28/553244228.db2.gz FLHKCCSOWHLZHB-IZLXSDGUSA-N 1 0 509.650 6.117 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000009407160 553256822 /nfs/dbraw/zinc/25/68/22/553256822.db2.gz JFCRYKAWSJNCRD-SXOMAYOGSA-N 1 0 502.684 5.075 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432874 553262649 /nfs/dbraw/zinc/26/26/49/553262649.db2.gz RJZOUPMTYJYFRL-IZLXSDGUSA-N 1 0 535.710 5.219 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432873 553262661 /nfs/dbraw/zinc/26/26/61/553262661.db2.gz RJZOUPMTYJYFRL-VSGBNLITSA-N 1 0 535.710 5.219 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009432882 553262973 /nfs/dbraw/zinc/26/29/73/553262973.db2.gz CAUBVGXGZPIDAI-WUFINQPMSA-N 1 0 519.711 5.092 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433322 553263123 /nfs/dbraw/zinc/26/31/23/553263123.db2.gz NQXXNRNWPQCWOE-VMPREFPWSA-N 1 0 533.738 6.229 50 0 KKAARO C[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433506 553263346 /nfs/dbraw/zinc/26/33/46/553263346.db2.gz QEURWTABXZDXKQ-VSGBNLITSA-N 1 0 501.696 5.610 50 0 KKAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c12 ZINC000009610391 553288455 /nfs/dbraw/zinc/28/84/55/553288455.db2.gz UEYVOSQPQYMOJE-UHFFFAOYSA-N 1 0 502.062 5.375 50 0 KKAARO CCn1c(=O)c2cc(C(=O)NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)sc2c2ccccc21 ZINC000009611160 553288831 /nfs/dbraw/zinc/28/88/31/553288831.db2.gz FOFXELYPMGFOQR-UHFFFAOYSA-N 1 0 523.102 5.140 50 0 KKAARO COc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCC(C)CC4)ccc3Sc3ccccc3C2=O)c1 ZINC000009678411 553295618 /nfs/dbraw/zinc/29/56/18/553295618.db2.gz GFWWWTVSYLBQFN-UHFFFAOYSA-N 1 0 529.706 5.859 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)CSc3c4cc(Cl)ccc4nc4c3CCCC4)CC2)c1 ZINC000009693752 553298867 /nfs/dbraw/zinc/29/88/67/553298867.db2.gz ZVVDBXPLICPQTN-UHFFFAOYSA-N 1 0 508.131 6.196 50 0 KKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000009693922 553299256 /nfs/dbraw/zinc/29/92/56/553299256.db2.gz MWZGBLZEZBKAHQ-QFIPXVFZSA-N 1 0 527.496 5.826 50 0 KKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000009693921 553299281 /nfs/dbraw/zinc/29/92/81/553299281.db2.gz MWZGBLZEZBKAHQ-JOCHJYFZSA-N 1 0 527.496 5.826 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009857853 553313768 /nfs/dbraw/zinc/31/37/68/553313768.db2.gz KJKYZOJOYBHPNK-LOYHVIPDSA-N 1 0 529.750 6.022 50 0 KKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)CCn3nc(C)cc3C)cc12 ZINC000011786014 553342815 /nfs/dbraw/zinc/34/28/15/553342815.db2.gz NRJCZCCOFJXNCX-UHFFFAOYSA-N 1 0 529.685 5.021 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000011911109 553348618 /nfs/dbraw/zinc/34/86/18/553348618.db2.gz WPKJHLMYZHXGSJ-DMZDNULSSA-N 1 0 516.711 5.019 50 0 KKAARO Cc1ccsc1C(=O)N1CCCC[C@H]1CCOc1ccc(C[N@@H+](C)Cc2cccc3ncccc23)cc1 ZINC000011909868 553348768 /nfs/dbraw/zinc/34/87/68/553348768.db2.gz PWEYKJDXKJDBOG-SANMLTNESA-N 1 0 513.707 6.701 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CC=C(c2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000012041276 553350445 /nfs/dbraw/zinc/35/04/45/553350445.db2.gz WYZLVGXQLRCXJU-UHFFFAOYSA-N 1 0 508.597 5.267 50 0 KKAARO CCOc1ccccc1CN1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)OC)C1 ZINC000012190829 553353571 /nfs/dbraw/zinc/35/35/71/553353571.db2.gz CSLREHJRPYXZKU-BKMJKUGQSA-N 1 0 533.635 5.070 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012242025 553354544 /nfs/dbraw/zinc/35/45/44/553354544.db2.gz CWRVEYUJDXSZIP-SXOMAYOGSA-N 1 0 530.694 5.020 50 0 KKAARO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(Cl)c3n2)c1 ZINC000012371607 553360505 /nfs/dbraw/zinc/36/05/05/553360505.db2.gz FWOKAQXKGWTQAU-QFBILLFUSA-N 1 0 522.955 5.498 50 0 KKAARO O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374697 553361041 /nfs/dbraw/zinc/36/10/41/553361041.db2.gz MDLDKUNSOCMVCQ-UHFFFAOYSA-N 1 0 527.566 5.281 50 0 KKAARO COc1cccc([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000012540130 553388750 /nfs/dbraw/zinc/38/87/50/553388750.db2.gz XRSLSNHSYZGALL-GNPWNAQMSA-N 1 0 500.639 5.362 50 0 KKAARO CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C=CC4=C5C[C@](C)(C(=O)OCC[NH3+])CC(=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000012653415 553410141 /nfs/dbraw/zinc/41/01/41/553410141.db2.gz DOKJVTCSBRXQNS-JBPWUVJLSA-N 1 0 511.747 5.750 50 0 biogenic KKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cc(-c5cccs5)nc5ccccc54)ccc3n2)CC1 ZINC000013671929 553482142 /nfs/dbraw/zinc/48/21/42/553482142.db2.gz MPLFGSSKQRHUCS-UHFFFAOYSA-N 1 0 507.663 6.214 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000013686467 553485355 /nfs/dbraw/zinc/48/53/55/553485355.db2.gz FTKWEAPMPISEDC-GHMVGRGESA-N 1 0 518.032 7.359 50 0 KKAARO FC(F)Oc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000013811216 553492482 /nfs/dbraw/zinc/49/24/82/553492482.db2.gz CTHQDRHOBNALTE-VSGBNLITSA-N 1 0 515.604 6.701 50 0 KKAARO CCCc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000013817043 553492921 /nfs/dbraw/zinc/49/29/21/553492921.db2.gz BYPZELJQHIWEOW-UHFFFAOYSA-N 1 0 501.678 6.569 50 0 KKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014535078 553517791 /nfs/dbraw/zinc/51/77/91/553517791.db2.gz IYAIOQWIOCSFDQ-UHFFFAOYSA-N 1 0 528.678 5.285 50 0 KKAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)N1Cc1ccccc1 ZINC000014744232 553519846 /nfs/dbraw/zinc/51/98/46/553519846.db2.gz FQGSUPDOWSDAHK-UHFFFAOYSA-N 1 0 525.678 5.123 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014744223 553519897 /nfs/dbraw/zinc/51/98/97/553519897.db2.gz BYPVCIDDVLVCNR-LOSJGSFVSA-N 1 0 511.597 5.078 50 0 KKAARO C[C@@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000014973235 553522931 /nfs/dbraw/zinc/52/29/31/553522931.db2.gz VQDNAGMATKKGOW-DEOSSOPVSA-N 1 0 532.754 5.859 50 0 KKAARO COc1cccc(C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)c1OC ZINC000014987542 553523829 /nfs/dbraw/zinc/52/38/29/553523829.db2.gz TWXCJSFSVPOJNG-UHFFFAOYSA-N 1 0 530.690 6.234 50 0 KKAARO COc1cc2c(cc1C[NH+]1CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC1)oc(C)c2-c1ccccc1 ZINC000015071112 553527415 /nfs/dbraw/zinc/52/74/15/553527415.db2.gz QTXMWCWTRUFKFU-XMMPIXPASA-N 1 0 532.710 6.196 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2OC)N3)C1 ZINC000015947402 553545317 /nfs/dbraw/zinc/54/53/17/553545317.db2.gz DPANJZYYVHDYNS-INIZCTEOSA-N 1 0 501.244 5.089 50 0 KKAARO COc1ccc2c(c1)c(CC(=O)NCC1([NH+]3CCCCC3)CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000016050447 553554991 /nfs/dbraw/zinc/55/49/91/553554991.db2.gz IOWLYRBRWHQURT-UHFFFAOYSA-N 1 0 536.116 6.148 50 0 KKAARO O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016972929 553585757 /nfs/dbraw/zinc/58/57/57/553585757.db2.gz YZNIFSRDTPSDTD-UHFFFAOYSA-N 1 0 506.049 6.760 50 0 KKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2c1C ZINC000017122293 553588263 /nfs/dbraw/zinc/58/82/63/553588263.db2.gz CVRJHVAQAVRFMR-UHFFFAOYSA-N 1 0 528.744 5.076 50 0 KKAARO CSc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)n2)cc1 ZINC000019113735 553612447 /nfs/dbraw/zinc/61/24/47/553612447.db2.gz HZWSQYVUNPCGFH-HSZRJFAPSA-N 1 0 536.786 5.548 50 0 KKAARO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706307 553627667 /nfs/dbraw/zinc/62/76/67/553627667.db2.gz PJAKLDZWFIABNU-BAAZAXTHSA-N 1 0 556.460 5.026 50 0 biogenic KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242703 553627808 /nfs/dbraw/zinc/62/78/08/553627808.db2.gz QRYDFPQVLUNFAK-NKAOBMQUSA-N 1 0 529.706 5.235 50 0 KKAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000019932821 553635385 /nfs/dbraw/zinc/63/53/85/553635385.db2.gz JPYHJSIOXZNVNY-NDEPHWFRSA-N 1 0 518.013 5.190 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000020355242 553641077 /nfs/dbraw/zinc/64/10/77/553641077.db2.gz HFXDEEVMHKRMCK-MWAVMZGNSA-N 1 0 527.734 6.527 50 0 KKAARO CSc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000020357735 553642613 /nfs/dbraw/zinc/64/26/13/553642613.db2.gz CQAHZSFIWVDTDW-UHFFFAOYSA-N 1 0 516.736 6.176 50 0 KKAARO CCOC(=O)c1c(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)sc2c1CCCC2 ZINC000020386533 553643965 /nfs/dbraw/zinc/64/39/65/553643965.db2.gz JNAHSFRKKLRWEJ-QGZVFWFLSA-N 1 0 526.728 5.917 50 0 KKAARO Cc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)ccc1Br ZINC000020386620 553644012 /nfs/dbraw/zinc/64/40/12/553644012.db2.gz VJRIEKKGGXLZFL-QFIPXVFZSA-N 1 0 529.548 6.897 50 0 KKAARO CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020386540 553644117 /nfs/dbraw/zinc/64/41/17/553644117.db2.gz WBFFGWZLLSMJCY-GOSISDBHSA-N 1 0 503.068 5.860 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000072177059 553645631 /nfs/dbraw/zinc/64/56/31/553645631.db2.gz VSTLDFFVZAQSGM-SZPZYZBQSA-N 1 0 580.150 5.431 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000072174347 553645728 /nfs/dbraw/zinc/64/57/28/553645728.db2.gz PUXUIXQOXURORP-UHFFFAOYSA-N 1 0 580.150 5.718 50 0 KKAARO Cc1nn2c(nc(C(C)C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000020533343 553670719 /nfs/dbraw/zinc/67/07/19/553670719.db2.gz KEDXETRLKFZSHS-UHFFFAOYSA-N 1 0 501.678 6.740 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 ZINC000020597671 553677275 /nfs/dbraw/zinc/67/72/75/553677275.db2.gz RLRZARJDLJCHOC-UHFFFAOYSA-N 1 0 501.740 6.480 50 0 KKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020726409 553690311 /nfs/dbraw/zinc/69/03/11/553690311.db2.gz BLAOSVWMWWXTHM-ITYLOYPMSA-N 1 0 506.071 5.458 50 0 KKAARO CC(C)C[NH+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)CC(C)C ZINC000020727862 553690958 /nfs/dbraw/zinc/69/09/58/553690958.db2.gz ZYXFAQLXHSDMRA-MYYYXRDXSA-N 1 0 533.660 5.915 50 0 KKAARO CC(C)c1ccc(Nc2cc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020732791 553692725 /nfs/dbraw/zinc/69/27/25/553692725.db2.gz RQMKRBRWJWULCA-UHFFFAOYSA-N 1 0 507.682 5.649 50 0 KKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733469 553693030 /nfs/dbraw/zinc/69/30/30/553693030.db2.gz SZIPVVXYPIVSBZ-UHFFFAOYSA-N 1 0 531.553 6.537 50 0 KKAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)cc1OC ZINC000020736476 553693754 /nfs/dbraw/zinc/69/37/54/553693754.db2.gz BPGFEARRDDHPRJ-VULFUBBASA-N 1 0 511.688 5.133 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737671 553694676 /nfs/dbraw/zinc/69/46/76/553694676.db2.gz KWPZNKJRBDWMGN-DGXULUGGSA-N 1 0 511.691 5.889 50 0 KKAARO CC[NH+](CC)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020116189 553697449 /nfs/dbraw/zinc/69/74/49/553697449.db2.gz STDJGTNUOOYFHF-JOBQNUIVSA-N 1 0 540.752 5.435 50 0 KKAARO O[C@@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790583 553698118 /nfs/dbraw/zinc/69/81/18/553698118.db2.gz GJHFZSLUXJCFOI-UIOOFZCWSA-N 1 0 531.700 5.337 50 0 KKAARO Cc1ccc(-c2onc3ccc(C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc32)cc1 ZINC000021089508 553706065 /nfs/dbraw/zinc/70/60/65/553706065.db2.gz UURDXTIGLDPLSO-UHFFFAOYSA-N 1 0 503.046 5.707 50 0 KKAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)c1 ZINC000021162624 553708672 /nfs/dbraw/zinc/70/86/72/553708672.db2.gz PEZXFVLDOHYLEF-UHFFFAOYSA-N 1 0 501.719 5.300 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000021162953 553708907 /nfs/dbraw/zinc/70/89/07/553708907.db2.gz VFNCNNXEBYUUKP-HHHXNRCGSA-N 1 0 501.719 5.380 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000021163058 553709133 /nfs/dbraw/zinc/70/91/33/553709133.db2.gz UGIDXKZGWWFRHR-JWQCQUIFSA-N 1 0 501.719 5.379 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021163044 553709262 /nfs/dbraw/zinc/70/92/62/553709262.db2.gz MYFZSIHIDRFXCK-PSWAGMNNSA-N 1 0 501.719 5.094 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C3=O ZINC000021522720 553710173 /nfs/dbraw/zinc/71/01/73/553710173.db2.gz FRSNJQLLJBIKCD-IKBQMQIHSA-N 1 0 522.734 5.071 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C3=O ZINC000021522723 553710182 /nfs/dbraw/zinc/71/01/82/553710182.db2.gz FRSNJQLLJBIKCD-CEFNRUSXSA-N 1 0 522.734 5.071 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000096021770 553717656 /nfs/dbraw/zinc/71/76/56/553717656.db2.gz DVBCZISYLKUKGP-TYHGNQNSSA-N 1 0 593.602 9.069 50 0 KKAARO C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)C1 ZINC000096021838 553717865 /nfs/dbraw/zinc/71/78/65/553717865.db2.gz GTESPTSWVAZWLZ-XMMPIXPASA-N 1 0 553.776 5.560 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000022030382 553722909 /nfs/dbraw/zinc/72/29/09/553722909.db2.gz DVBCZISYLKUKGP-ZPGRZCPFSA-N 1 0 593.602 9.069 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000022030386 553722993 /nfs/dbraw/zinc/72/29/93/553722993.db2.gz DVBCZISYLKUKGP-LQFQNGICSA-N 1 0 593.602 9.069 50 0 KKAARO FC(F)(F)c1cc(Cl)c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)n2c1 ZINC000022038021 553723256 /nfs/dbraw/zinc/72/32/56/553723256.db2.gz IUSUERSRRIAUGI-UHFFFAOYSA-N 1 0 518.008 5.902 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189816 553727175 /nfs/dbraw/zinc/72/71/75/553727175.db2.gz ZBOLDFALAJJQAG-WXGMZPBLSA-N 1 0 510.081 6.216 50 0 KKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096275513 553732560 /nfs/dbraw/zinc/73/25/60/553732560.db2.gz VZRZEUYGMJPBJM-HHHXNRCGSA-N 1 0 511.666 5.500 50 0 KKAARO Cc1cccc(NC(=O)[C@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281482 553737478 /nfs/dbraw/zinc/73/74/78/553737478.db2.gz QMTCUQUMPWAUCA-WNJJXGMVSA-N 1 0 502.611 5.099 50 0 KKAARO COc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000096281823 553737485 /nfs/dbraw/zinc/73/74/85/553737485.db2.gz BGSJVHVWNMIFQR-UHFFFAOYSA-N 1 0 512.576 6.091 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022450012 553742417 /nfs/dbraw/zinc/74/24/17/553742417.db2.gz JSINNAXMFTZUHV-IZZNHLLZSA-N 1 0 601.578 6.249 50 0 KKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000022786165 553750187 /nfs/dbraw/zinc/75/01/87/553750187.db2.gz WTOGLEYHVLFHJV-PMERELPUSA-N 1 0 517.629 5.518 50 0 KKAARO O[C@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022790410 553750307 /nfs/dbraw/zinc/75/03/07/553750307.db2.gz ZTFQXYHIJMSPAI-XIFFEERXSA-N 1 0 551.734 7.307 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022873395 553766109 /nfs/dbraw/zinc/76/61/09/553766109.db2.gz VHVJBTKSEFANSC-CLJLJLNGSA-N 1 0 611.584 5.705 50 0 KKAARO O=C(NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940602 553766361 /nfs/dbraw/zinc/76/63/61/553766361.db2.gz DEZWVSDTFJFULC-UHFFFAOYSA-N 1 0 600.563 6.689 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000022917928 553766891 /nfs/dbraw/zinc/76/68/91/553766891.db2.gz RMJFSURTHRYTEK-TYHGNQNSSA-N 1 0 524.712 7.763 50 0 KKAARO C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022938704 553768165 /nfs/dbraw/zinc/76/81/65/553768165.db2.gz OABVTVPMRHOMQB-JGCGQSQUSA-N 1 0 525.718 5.288 50 0 KKAARO CC[NH+]1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000022947462 553768450 /nfs/dbraw/zinc/76/84/50/553768450.db2.gz CFZVDKIKDGHATA-JBASAIQMSA-N 1 0 540.733 5.042 50 0 KKAARO CCCC[C@@H](CC)C(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023424773 553774801 /nfs/dbraw/zinc/77/48/01/553774801.db2.gz LZFUNZMSPUQRBQ-OAQYLSRUSA-N 1 0 514.636 6.706 50 0 KKAARO C[NH+](C)CC(C)(C)CNC(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000023454587 553783235 /nfs/dbraw/zinc/78/32/35/553783235.db2.gz OJYWUOLSAMAKFZ-UHFFFAOYSA-N 1 0 512.498 5.895 50 0 KKAARO COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=C[N@H+]2[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956265 553837300 /nfs/dbraw/zinc/83/73/00/553837300.db2.gz XZLDJIMNFYMIEX-RMTZWNOUSA-N 1 0 536.411 5.702 50 0 KKAARO OCCN1CC[NH+](C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000028296573 553841725 /nfs/dbraw/zinc/84/17/25/553841725.db2.gz CYBJSRCFGLFQHZ-MUUNZHRXSA-N 1 0 505.662 5.099 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccc(C)cc4c(-c4ccccc4)c3-c3ccccc3)CC2)cc1 ZINC000028464556 553842550 /nfs/dbraw/zinc/84/25/50/553842550.db2.gz DVVPMGSHVZDXFX-HKBQPEDESA-N 1 0 515.701 6.775 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000029747437 553847357 /nfs/dbraw/zinc/84/73/57/553847357.db2.gz QRGYYWLOZKHEGL-RUZDIDTESA-N 1 0 543.133 5.192 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O)Cc1ccccc1 ZINC000029749743 553852483 /nfs/dbraw/zinc/85/24/83/553852483.db2.gz AYKBDWCRYVBRPV-UHFFFAOYSA-N 1 0 580.795 5.008 50 0 KKAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752675 553854304 /nfs/dbraw/zinc/85/43/04/553854304.db2.gz JGOSQKXKPJVRAE-LQJZCPKCSA-N 1 0 567.730 5.002 50 0 KKAARO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000097963592 553892087 /nfs/dbraw/zinc/89/20/87/553892087.db2.gz XECORAPKPVPJMU-UHFFFAOYSA-N 1 0 577.813 5.927 50 0 KKAARO COc1cc(C[N@@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068994 553905739 /nfs/dbraw/zinc/90/57/39/553905739.db2.gz BVCVAUKTXZUCPX-UHFFFAOYSA-N 1 0 511.619 5.246 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH2+]C3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000033354128 553928559 /nfs/dbraw/zinc/92/85/59/553928559.db2.gz KDBOHEAJIOFCFT-HXUWFJFHSA-N 1 0 575.569 6.072 50 0 KKAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354943 553932193 /nfs/dbraw/zinc/93/21/93/553932193.db2.gz WDJNIEADSJLIEA-XZNUUDFLSA-N 1 0 548.053 5.923 50 0 KKAARO O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354947 553932211 /nfs/dbraw/zinc/93/22/11/553932211.db2.gz OXFNGVCONGIWPX-UHFFFAOYSA-N 1 0 534.623 5.507 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000033356400 553941086 /nfs/dbraw/zinc/94/10/86/553941086.db2.gz KCSVOTBUUNFGFO-UHFFFAOYSA-N 1 0 549.520 5.635 50 0 KKAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000033356738 553943911 /nfs/dbraw/zinc/94/39/11/553943911.db2.gz DLDFANBXVMNROJ-UHFFFAOYSA-N 1 0 542.655 5.619 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)Cn4nc(C(F)(F)F)cc4C)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000033356870 553945124 /nfs/dbraw/zinc/94/51/24/553945124.db2.gz OFPXPBZMMHUHGE-UHFFFAOYSA-N 1 0 539.558 6.037 50 0 KKAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)c1 ZINC000033357100 553946288 /nfs/dbraw/zinc/94/62/88/553946288.db2.gz AIQSOBWIXQIKFL-LJAQVGFWSA-N 1 0 622.260 5.601 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000033357135 553946728 /nfs/dbraw/zinc/94/67/28/553946728.db2.gz VYAIZNJTTDNSQW-MHZLTWQESA-N 1 0 614.574 5.676 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000033357123 553946852 /nfs/dbraw/zinc/94/68/52/553946852.db2.gz OYNHGJANVTVAOH-HKBQPEDESA-N 1 0 602.776 5.900 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033357253 553947497 /nfs/dbraw/zinc/94/74/97/553947497.db2.gz XAWWKJZIFXZXII-FIRIVFDPSA-N 1 0 543.683 5.698 50 0 KKAARO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033435676 553960206 /nfs/dbraw/zinc/96/02/06/553960206.db2.gz OOABJYJUKFWDEH-RLWLMLJZSA-N 1 0 528.093 5.481 50 0 KKAARO CCCSc1ccccc1N1CC[NH+](CCCCN2C(=O)CC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000097973089 553968127 /nfs/dbraw/zinc/96/81/27/553968127.db2.gz ORGJAQUHDSUKCB-UHFFFAOYSA-N 1 0 541.761 5.836 50 0 KKAARO CCCSc1ccccc1N1CC[NH+](CCC[C@@H](OC(=O)COc2ccc3c(c2C)CCCC3)c2ccccc2)CC1 ZINC000097973079 553968180 /nfs/dbraw/zinc/96/81/80/553968180.db2.gz JKERCWWPUJPDEY-UUWRZZSWSA-N 1 0 586.842 7.642 50 0 KKAARO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1 ZINC000034039290 553980267 /nfs/dbraw/zinc/98/02/67/553980267.db2.gz PGXYIBJJCLWJST-MUUNZHRXSA-N 1 0 517.069 6.534 50 0 investigational KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671837 553982636 /nfs/dbraw/zinc/98/26/36/553982636.db2.gz SJICJDFQSJIVDR-NRUKRWIHSA-N 1 0 508.637 6.366 50 0 KKAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034682882 553985499 /nfs/dbraw/zinc/98/54/99/553985499.db2.gz DOPQKJIBRGDXLB-UHFFFAOYSA-N 1 0 502.655 6.147 50 0 KKAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000034683264 553985594 /nfs/dbraw/zinc/98/55/94/553985594.db2.gz JTISCXAQAHPXPM-UHFFFAOYSA-N 1 0 528.571 6.043 50 0 KKAARO Cc1ccc(N(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683808 553986385 /nfs/dbraw/zinc/98/63/85/553986385.db2.gz VEUHNMIDROFAJI-UHFFFAOYSA-N 1 0 502.602 6.182 50 0 KKAARO O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685556 553987042 /nfs/dbraw/zinc/98/70/42/553987042.db2.gz GMHHKUHCWCWXRL-MGBGTMOVSA-N 1 0 529.640 6.331 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)C4CCCC4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698110 553991134 /nfs/dbraw/zinc/99/11/34/553991134.db2.gz CNFGSVWYBVOVGZ-HOFKKMOUSA-N 1 0 515.620 5.268 50 0 KKAARO O=C(c1ccc(F)cc1)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698043 553991143 /nfs/dbraw/zinc/99/11/43/553991143.db2.gz QAKRCLCIHNZNCQ-GGXMVOPNSA-N 1 0 524.602 6.655 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699338 553992372 /nfs/dbraw/zinc/99/23/72/553992372.db2.gz NNXCOQQFPCDIQP-RBJSKKJNSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)CCc2ccccc2)s1 ZINC000034718808 553996145 /nfs/dbraw/zinc/99/61/45/553996145.db2.gz COIWENBAHAMZKT-UHFFFAOYSA-N 1 0 535.729 5.672 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2ccc(C)cc2)s1 ZINC000034736192 553997746 /nfs/dbraw/zinc/99/77/46/553997746.db2.gz NAHVOHRBLCPNKA-UHFFFAOYSA-N 1 0 522.690 5.663 50 0 KKAARO CCn1c(=O)/c(=C(/C=C2\Sc3cc(OC)ccc3N2CC)c2ccccc2)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000097983207 554007926 /nfs/dbraw/zinc/00/79/26/554007926.db2.gz NDDKIPZEVLSXAJ-KWPVHOPNSA-N 1 0 700.975 8.143 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034814879 554011887 /nfs/dbraw/zinc/01/18/87/554011887.db2.gz PDXPXUCPHRFPBG-UHFFFAOYSA-N 1 0 513.608 5.394 50 0 KKAARO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830246 554014941 /nfs/dbraw/zinc/01/49/41/554014941.db2.gz MIOIMFUAKFSCJR-GIGWZHCTSA-N 1 0 509.760 5.671 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830416 554015603 /nfs/dbraw/zinc/01/56/03/554015603.db2.gz QLBLTERBNPVWOT-QECWJDIYSA-N 1 0 529.750 5.647 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830513 554016114 /nfs/dbraw/zinc/01/61/14/554016114.db2.gz OLTYFLBAIKJLOR-PPHZAIPVSA-N 1 0 526.077 5.251 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830491 554016202 /nfs/dbraw/zinc/01/62/02/554016202.db2.gz MTJLHYJHKWMQOD-SSEXGKCCSA-N 1 0 533.713 5.552 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830554 554016675 /nfs/dbraw/zinc/01/66/75/554016675.db2.gz YGVLIVLQCUTCGO-LGGPFLRQSA-N 1 0 519.686 5.160 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(Cl)cc3Cl)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831227 554016862 /nfs/dbraw/zinc/01/68/62/554016862.db2.gz IGMHTESHRFQMOX-UHFFFAOYSA-N 1 0 514.501 5.680 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834381 554018854 /nfs/dbraw/zinc/01/88/54/554018854.db2.gz AFOXBTJYIDYNTE-UHFFFAOYSA-N 1 0 514.501 5.538 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000034834345 554018870 /nfs/dbraw/zinc/01/88/70/554018870.db2.gz WKECBKAGTQWLFJ-UHFFFAOYSA-N 1 0 514.501 5.538 50 0 KKAARO CCCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)CC(C)C)cc1 ZINC000034834389 554018920 /nfs/dbraw/zinc/01/89/20/554018920.db2.gz WFOWLYZPLBNHPI-UHFFFAOYSA-N 1 0 515.746 5.964 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834925 554019354 /nfs/dbraw/zinc/01/93/54/554019354.db2.gz QREPCBSMHPZQEX-HXUWFJFHSA-N 1 0 528.528 6.070 50 0 KKAARO CCOc1ccc(NC(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)C2CC2)cc1 ZINC000034835851 554020429 /nfs/dbraw/zinc/02/04/29/554020429.db2.gz LIEBAMTYKSLSDM-UHFFFAOYSA-N 1 0 520.653 5.057 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(OC)cc1 ZINC000034835784 554020480 /nfs/dbraw/zinc/02/04/80/554020480.db2.gz BABLLONSJNPPGP-UHFFFAOYSA-N 1 0 536.696 5.557 50 0 KKAARO CCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)CC2)cc1 ZINC000034912339 554029378 /nfs/dbraw/zinc/02/93/78/554029378.db2.gz KXPISCZTZCRWEW-PMERELPUSA-N 1 0 501.715 5.540 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397175 554047851 /nfs/dbraw/zinc/04/78/51/554047851.db2.gz DNKJXLJHAPLSOI-UHFFFAOYSA-N 1 0 527.134 6.031 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397176 554047914 /nfs/dbraw/zinc/04/79/14/554047914.db2.gz IIJMSFIRKSFQOF-UHFFFAOYSA-N 1 0 511.135 6.331 50 0 KKAARO FC(F)(F)Oc1ccc(Nc2nc(N3CCCCC3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000098003735 554056209 /nfs/dbraw/zinc/05/62/09/554056209.db2.gz GRTFDVHDBQLUHL-UHFFFAOYSA-N 1 0 557.665 5.595 50 0 KKAARO O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005764 554058275 /nfs/dbraw/zinc/05/82/75/554058275.db2.gz UGDVFUWPVHWRQC-UHFFFAOYSA-N 1 0 550.050 5.857 50 0 KKAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000098005990 554060286 /nfs/dbraw/zinc/06/02/86/554060286.db2.gz BMDPDQKQDWHOTJ-UKRRQHHQSA-N 1 0 527.341 5.192 50 0 KKAARO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006282 554061085 /nfs/dbraw/zinc/06/10/85/554061085.db2.gz AYVCODBACZNFIJ-YYTJKGSJSA-N 1 0 573.660 5.287 50 0 KKAARO Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)c(C)c1 ZINC000098009718 554070481 /nfs/dbraw/zinc/07/04/81/554070481.db2.gz OTZCZIZWRHJODY-UHFFFAOYSA-N 1 0 553.813 5.158 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000098009755 554070754 /nfs/dbraw/zinc/07/07/54/554070754.db2.gz ADWYSNHFZBIESM-MXBOTTGLSA-N 1 0 544.183 7.800 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccccc1 ZINC000035774025 554073585 /nfs/dbraw/zinc/07/35/85/554073585.db2.gz GDLDOOPTTOFSDW-SDNWHVSQSA-N 1 0 519.686 5.362 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)SCC1=O ZINC000098011169 554078127 /nfs/dbraw/zinc/07/81/27/554078127.db2.gz YWRFXKBEUDHRHH-GDLZYMKVSA-N 1 0 578.113 5.179 50 0 KKAARO CC(C)COC[C@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842649 554081267 /nfs/dbraw/zinc/08/12/67/554081267.db2.gz JQNMNKUASMFAQB-GDLZYMKVSA-N 1 0 535.773 5.781 50 0 KKAARO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000035842743 554081687 /nfs/dbraw/zinc/08/16/87/554081687.db2.gz FGVBYLSWYFAZHQ-UHFFFAOYSA-N 1 0 530.156 7.601 50 0 KKAARO Cc1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000035843675 554082459 /nfs/dbraw/zinc/08/24/59/554082459.db2.gz MJCRBVWZEIPRPH-UHFFFAOYSA-N 1 0 522.520 7.265 50 0 KKAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@H]23)cc1 ZINC000035871461 554085942 /nfs/dbraw/zinc/08/59/42/554085942.db2.gz SNBZYKGSARCDRH-AHKZPQOWSA-N 1 0 509.572 5.258 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCCCC3)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000035872478 554086990 /nfs/dbraw/zinc/08/69/90/554086990.db2.gz VKDPNYSYGMYGET-WJOKGBTCSA-N 1 0 523.721 7.140 50 0 KKAARO COc1cccc(C[N@@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035927822 554101125 /nfs/dbraw/zinc/10/11/25/554101125.db2.gz OPHSKUANTZQTKE-UHFFFAOYSA-N 1 0 518.665 5.436 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2cccc(Br)c2)o1 ZINC000098019652 554113533 /nfs/dbraw/zinc/11/35/33/554113533.db2.gz GQWFCRDKSRPEHX-UHFFFAOYSA-N 1 0 566.540 5.550 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2C)cc1OC ZINC000098019719 554114040 /nfs/dbraw/zinc/11/40/40/554114040.db2.gz JFZUMEZIBNAHEQ-UHFFFAOYSA-N 1 0 561.723 5.113 50 0 KKAARO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000098020092 554116480 /nfs/dbraw/zinc/11/64/80/554116480.db2.gz CDDMFECERYAUCK-UHFFFAOYSA-N 1 0 542.938 7.610 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000098043738 554128599 /nfs/dbraw/zinc/12/85/99/554128599.db2.gz IFUTVBBIKMJMLR-DQEYMECFSA-N 1 0 769.376 7.230 50 0 KKAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000098048137 554159775 /nfs/dbraw/zinc/15/97/75/554159775.db2.gz XRPGHOCYUVKYDR-QHCPKHFHSA-N 1 0 665.357 5.225 50 0 KKAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)n2)CC1 ZINC000036065088 554163494 /nfs/dbraw/zinc/16/34/94/554163494.db2.gz HZBFHDQEMRMDNB-UHFFFAOYSA-N 1 0 503.716 5.138 50 0 KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146785 554198149 /nfs/dbraw/zinc/19/81/49/554198149.db2.gz UNHRXELDSPPWLW-RBBKRZOGSA-N 1 0 523.844 5.813 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146132 554198245 /nfs/dbraw/zinc/19/82/45/554198245.db2.gz LVSXRMMZNVYCJR-FTJBHMTQSA-N 1 0 516.535 5.417 50 0 KKAARO COc1ccccc1-c1csc2[nH]c(C[N@H+](C[C@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206572 554202243 /nfs/dbraw/zinc/20/22/43/554202243.db2.gz KGCPJHAHMBIRDR-JOCHJYFZSA-N 1 0 503.668 5.399 50 0 KKAARO COc1ccccc1-c1csc2[nH]c(C[N@H+](C[C@@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206573 554202258 /nfs/dbraw/zinc/20/22/58/554202258.db2.gz KGCPJHAHMBIRDR-QFIPXVFZSA-N 1 0 503.668 5.399 50 0 KKAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301712 554211280 /nfs/dbraw/zinc/21/12/80/554211280.db2.gz DMTHSWOYGWSFSY-HSZRJFAPSA-N 1 0 500.039 5.244 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036301652 554211363 /nfs/dbraw/zinc/21/13/63/554211363.db2.gz RKZXZPJSEJKVGM-QHCPKHFHSA-N 1 0 502.055 5.633 50 0 KKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036301647 554211432 /nfs/dbraw/zinc/21/14/32/554211432.db2.gz QIMXNGXATPZSKZ-XXBNENTESA-N 1 0 502.055 5.633 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036301655 554211445 /nfs/dbraw/zinc/21/14/45/554211445.db2.gz RKZXZPJSEJKVGM-HSZRJFAPSA-N 1 0 502.055 5.633 50 0 KKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301994 554211950 /nfs/dbraw/zinc/21/19/50/554211950.db2.gz YEZMOHUNVMYRPD-XMMPIXPASA-N 1 0 505.615 5.363 50 0 KKAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302406 554212346 /nfs/dbraw/zinc/21/23/46/554212346.db2.gz OFEBRPPTFJQPSJ-DEOSSOPVSA-N 1 0 509.647 5.144 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000036304092 554214386 /nfs/dbraw/zinc/21/43/86/554214386.db2.gz LERDNWHFGZNKJF-XMMPIXPASA-N 1 0 507.581 5.902 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCC(C)C ZINC000036305083 554214916 /nfs/dbraw/zinc/21/49/16/554214916.db2.gz RTMPJBQYJYOANL-QHCPKHFHSA-N 1 0 502.055 5.015 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305600 554215453 /nfs/dbraw/zinc/21/54/53/554215453.db2.gz HTKFHQOSJUXRMI-OZXSUGGESA-N 1 0 523.674 5.045 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305263 554215494 /nfs/dbraw/zinc/21/54/94/554215494.db2.gz ZBQWXVFAFVLXGY-MHZLTWQESA-N 1 0 529.681 5.924 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341859 554221148 /nfs/dbraw/zinc/22/11/48/554221148.db2.gz MCIFHZDYXXQRBS-MUUNZHRXSA-N 1 0 511.622 5.056 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343247 554221660 /nfs/dbraw/zinc/22/16/60/554221660.db2.gz DONNZCDDZIMYKM-SSEXGKCCSA-N 1 0 527.665 5.345 50 0 KKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343893 554222374 /nfs/dbraw/zinc/22/23/74/554222374.db2.gz UBBAEMGLZZFNSS-SSEXGKCCSA-N 1 0 500.086 6.589 50 0 KKAARO COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344217 554222592 /nfs/dbraw/zinc/22/25/92/554222592.db2.gz PWNFRVNXZROYQZ-WJOKGBTCSA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccccc1-c1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037357866 554234652 /nfs/dbraw/zinc/23/46/52/554234652.db2.gz GSWLMPHXKCPBBO-UHFFFAOYSA-N 1 0 526.044 5.049 50 0 KKAARO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100161503 554235159 /nfs/dbraw/zinc/23/51/59/554235159.db2.gz GFTPFLYROOXWQQ-UHFFFAOYSA-N 1 0 606.796 5.839 50 0 KKAARO Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)c1 ZINC000037523715 554250134 /nfs/dbraw/zinc/25/01/34/554250134.db2.gz QJCSLMJOOZUZDU-UHSQPCAPSA-N 1 0 526.618 7.167 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1cccc(Cl)c1 ZINC000037524927 554250280 /nfs/dbraw/zinc/25/02/80/554250280.db2.gz QUKCWABSGXEJER-UHFFFAOYSA-N 1 0 523.121 5.219 50 0 KKAARO Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)c1 ZINC000037524397 554250437 /nfs/dbraw/zinc/25/04/37/554250437.db2.gz MBWCVSFPSHMRRG-PXJZQJOASA-N 1 0 508.628 7.028 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccccc1Cl ZINC000037525247 554250592 /nfs/dbraw/zinc/25/05/92/554250592.db2.gz CYDXPTOKQGLOFZ-UHFFFAOYSA-N 1 0 523.121 5.219 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225795 554253271 /nfs/dbraw/zinc/25/32/71/554253271.db2.gz OUDOPQGDHPZRET-LSYYVWMOSA-N 1 0 548.716 5.457 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc(OC)ccc3s2)cc1 ZINC000038139126 554259036 /nfs/dbraw/zinc/25/90/36/554259036.db2.gz UOTCPELSKSPHQQ-UHFFFAOYSA-N 1 0 566.749 5.114 50 0 KKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2c(C)c1 ZINC000038139108 554259080 /nfs/dbraw/zinc/25/90/80/554259080.db2.gz HGSRDXHNGMLSSA-UHFFFAOYSA-N 1 0 550.750 5.332 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000038139160 554259376 /nfs/dbraw/zinc/25/93/76/554259376.db2.gz FKTZJXIWJXXAPE-UHFFFAOYSA-N 1 0 579.586 5.222 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)CC3)s2)cc1 ZINC000038139235 554259853 /nfs/dbraw/zinc/25/98/53/554259853.db2.gz RVQRYHKCQGCGKZ-DNQXCXABSA-N 1 0 579.815 5.040 50 0 KKAARO CC1(C)CC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC(C)(C)[NH2+]1 ZINC000038140323 554263122 /nfs/dbraw/zinc/26/31/22/554263122.db2.gz KALVJXPMWHRHML-UHFFFAOYSA-N 1 0 540.129 5.775 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000038144951 554266430 /nfs/dbraw/zinc/26/64/30/554266430.db2.gz FYTBEHAACLDCSC-QCENPCRXSA-N 1 0 583.530 5.280 50 0 biogenic KKAARO CCn1c2cc(-c3nc4ccccc4s3)ccc2[n+](-c2ccccc2)c1C=CC=CC=CC=C1N(C)c2ccccc2C1(C)C ZINC000100265651 554266901 /nfs/dbraw/zinc/26/69/01/554266901.db2.gz VXVVUGTWOIMOKF-UHFFFAOYSA-N 1 0 605.831 9.652 50 0 KKAARO CCC(=O)OC1(c2ccccc2)CC[NH+](CC[C@@H]2CN(C(C)C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000039304865 554278721 /nfs/dbraw/zinc/27/87/21/554278721.db2.gz QOJOMXBGEQVITK-WJOKGBTCSA-N 1 0 538.732 6.174 50 0 KKAARO COc1ccccc1OCC[NH+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722696 554324627 /nfs/dbraw/zinc/32/46/27/554324627.db2.gz JRLQBMKMDMZBGW-KAYWLYCHSA-N 1 0 645.756 6.525 50 0 in-vitro KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049766992 554325614 /nfs/dbraw/zinc/32/56/14/554325614.db2.gz HRKFJRCDWJUEPA-HSZRJFAPSA-N 1 0 631.412 7.068 50 0 KKAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(Cl)cc3F)n2n1 ZINC000050861791 554328078 /nfs/dbraw/zinc/32/80/78/554328078.db2.gz FSROPWIEYJORKJ-UHFFFAOYSA-N 1 0 546.031 5.702 50 0 KKAARO CCOc1c(Br)cc([C@@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356909 554345032 /nfs/dbraw/zinc/34/50/32/554345032.db2.gz CEYLFJGEHUEGAU-DFBJGRDBSA-N 1 0 537.454 6.179 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)CC(C)C ZINC000053371808 554348094 /nfs/dbraw/zinc/34/80/94/554348094.db2.gz PTFRJGLKGAZHQW-FAIXQHPJSA-N 1 0 580.194 6.401 50 0 KKAARO Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054387954 554349979 /nfs/dbraw/zinc/34/99/79/554349979.db2.gz PCLSKYSVZZOUGQ-UHFFFAOYSA-N 1 0 524.466 6.172 50 0 KKAARO COCc1c(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055119931 554350333 /nfs/dbraw/zinc/35/03/33/554350333.db2.gz YSTAYDMJEQFSDD-UHFFFAOYSA-N 1 0 539.720 5.087 50 0 KKAARO CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057222887 554353052 /nfs/dbraw/zinc/35/30/52/554353052.db2.gz SQWWSQLZQHHWKY-UHFFFAOYSA-N 1 0 501.627 5.227 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000057222962 554353092 /nfs/dbraw/zinc/35/30/92/554353092.db2.gz VMBQHXIVDOZFDK-UHFFFAOYSA-N 1 0 522.045 5.490 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000100405065 554373225 /nfs/dbraw/zinc/37/32/25/554373225.db2.gz MYMADWZMUJOKTF-UHFFFAOYSA-N 1 0 558.476 5.963 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(C)cc2s1 ZINC000060209667 554503299 /nfs/dbraw/zinc/50/32/99/554503299.db2.gz IJGGCBJKOSEIDS-UHFFFAOYSA-N 1 0 542.771 5.547 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209685 554503314 /nfs/dbraw/zinc/50/33/14/554503314.db2.gz WABLJKCIEPTBQY-UHFFFAOYSA-N 1 0 578.760 5.435 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](CCc5ccc(F)cc5)CC4)sc3nc2c1Cl ZINC000065330837 554526285 /nfs/dbraw/zinc/52/62/85/554526285.db2.gz PTCQCTFJKFAATB-UHFFFAOYSA-N 1 0 512.050 5.935 50 0 KKAARO c1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)[s+]c(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000100984914 554548307 /nfs/dbraw/zinc/54/83/07/554548307.db2.gz DXKHJOKJLZIZJB-PSXMRANNSA-N 1 0 545.731 10.386 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)c(C)c1 ZINC000101052920 554568911 /nfs/dbraw/zinc/56/89/11/554568911.db2.gz JOEOKJXDNKQEDK-GDLZYMKVSA-N 1 0 559.761 5.065 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101097701 554584858 /nfs/dbraw/zinc/58/48/58/554584858.db2.gz ZITYFMSTHLEETN-JBASAIQMSA-N 1 0 604.614 6.390 50 0 KKAARO CC(C)(C)c1ccc(OCC(=O)Nc2ccc3[nH]cc(CC[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)c3c2)cc1 ZINC000101108598 554640720 /nfs/dbraw/zinc/64/07/20/554640720.db2.gz NUNRLDRGZYHFKV-UHFFFAOYSA-N 1 0 578.679 6.866 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2[nH+]c2c1CCCC2 ZINC000101193352 554671381 /nfs/dbraw/zinc/67/13/81/554671381.db2.gz YTMDHWCKRXALGV-UHFFFAOYSA-N 1 0 522.432 7.190 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216162 554682848 /nfs/dbraw/zinc/68/28/48/554682848.db2.gz CMYINRJBFBFTGS-SANMLTNESA-N 1 0 587.186 5.590 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216236 554683188 /nfs/dbraw/zinc/68/31/88/554683188.db2.gz UYCKBFFCORJRQZ-MUUNZHRXSA-N 1 0 624.182 5.027 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216429 554683709 /nfs/dbraw/zinc/68/37/09/554683709.db2.gz DHHPFMFKSPMJQS-LJAQVGFWSA-N 1 0 624.182 5.421 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216477 554683996 /nfs/dbraw/zinc/68/39/96/554683996.db2.gz ACOUMMMFCOXAFV-HKBQPEDESA-N 1 0 619.231 6.414 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216509 554684021 /nfs/dbraw/zinc/68/40/21/554684021.db2.gz RWCMUDQKQXQYGR-JGCGQSQUSA-N 1 0 616.803 6.290 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216473 554684039 /nfs/dbraw/zinc/68/40/39/554684039.db2.gz ACOUMMMFCOXAFV-WJOKGBTCSA-N 1 0 619.231 6.414 50 0 KKAARO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216467 554684055 /nfs/dbraw/zinc/68/40/55/554684055.db2.gz DHRKLWDUGKPMEC-HKBQPEDESA-N 1 0 628.795 5.158 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226196 554688743 /nfs/dbraw/zinc/68/87/43/554688743.db2.gz AUOGLTMBIUTBKX-IOWSJCHKSA-N 1 0 543.683 5.553 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000101226166 554688744 /nfs/dbraw/zinc/68/87/44/554688744.db2.gz KZKYUIVPCVBNOY-SZAHLOSFSA-N 1 0 579.716 6.344 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226216 554689007 /nfs/dbraw/zinc/68/90/07/554689007.db2.gz RJNLJTQALKHTPY-NJKYLCJSSA-N 1 0 557.710 5.799 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254640 554695220 /nfs/dbraw/zinc/69/52/20/554695220.db2.gz JDJGHAPPLLLPNE-RUZDIDTESA-N 1 0 573.159 5.200 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254810 554695555 /nfs/dbraw/zinc/69/55/55/554695555.db2.gz KYXQGERIYQJGQQ-YTTGMZPUSA-N 1 0 613.828 5.323 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101278067 554704461 /nfs/dbraw/zinc/70/44/61/554704461.db2.gz ZQTLDHOPIXQIMX-DJLQPTFLSA-N 1 0 532.621 5.738 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372240 554744694 /nfs/dbraw/zinc/74/46/94/554744694.db2.gz KXUSORJGNFQLRU-UQQNYGIVSA-N 1 0 541.667 6.177 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386132 554751178 /nfs/dbraw/zinc/75/11/78/554751178.db2.gz KURRTRAUUXOBQV-RYCFQHDISA-N 1 0 597.804 5.537 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386169 554751201 /nfs/dbraw/zinc/75/12/01/554751201.db2.gz GJRJSGAKIAPDFN-IPZQJPLYSA-N 1 0 623.798 6.150 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386245 554751739 /nfs/dbraw/zinc/75/17/39/554751739.db2.gz OICWGDKCYXFDBU-BFGHFXMOSA-N 1 0 592.784 6.747 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406974 554762215 /nfs/dbraw/zinc/76/22/15/554762215.db2.gz YDBKIQPKQSPWBG-QFIPXVFZSA-N 1 0 539.623 6.231 50 0 KKAARO COc1ccc(-n2nc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101409533 554763388 /nfs/dbraw/zinc/76/33/88/554763388.db2.gz LTTVXUIYNFRHSM-UHFFFAOYSA-N 1 0 584.120 5.490 50 0 KKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101415573 554764653 /nfs/dbraw/zinc/76/46/53/554764653.db2.gz NDRSCOAZFGNJLI-UHFFFAOYSA-N 1 0 543.564 5.841 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@H]3C(=O)N(Cc4ccccc4)[C@@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425304 554768236 /nfs/dbraw/zinc/76/82/36/554768236.db2.gz UDQXSPFYAMNBHL-UCGGBYDDSA-N 1 0 578.761 5.016 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@H]3C(=O)N(Cc4ccccc4)[C@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425300 554768281 /nfs/dbraw/zinc/76/82/81/554768281.db2.gz UDQXSPFYAMNBHL-ZUKKLESISA-N 1 0 578.761 5.016 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000101455105 554776883 /nfs/dbraw/zinc/77/68/83/554776883.db2.gz KFFMJNKWWADMJT-KDXMTYKHSA-N 1 0 543.733 5.626 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101456060 554777192 /nfs/dbraw/zinc/77/71/92/554777192.db2.gz VKQQXHZFVRKIMH-UHFFFAOYSA-N 1 0 547.721 5.230 50 0 KKAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000101483698 554785069 /nfs/dbraw/zinc/78/50/69/554785069.db2.gz QZBPPXZEKVGNQH-UHFFFAOYSA-N 1 0 527.459 6.073 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc3)C2=O)c1 ZINC000101506337 554790207 /nfs/dbraw/zinc/79/02/07/554790207.db2.gz XTTQKHFKHXWBCB-SGWCHETOSA-N 1 0 553.772 6.835 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506589 554790386 /nfs/dbraw/zinc/79/03/86/554790386.db2.gz OKOUWOUTFZMVPU-LZBRRTOVSA-N 1 0 600.763 5.899 50 0 KKAARO O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000101590502 554802802 /nfs/dbraw/zinc/80/28/02/554802802.db2.gz QWCYZSAOUDYILC-UHFFFAOYSA-N 1 0 545.728 5.496 50 0 KKAARO COc1cccc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603900 554804772 /nfs/dbraw/zinc/80/47/72/554804772.db2.gz VTZDGGPXLGGHMY-SANMLTNESA-N 1 0 538.688 6.420 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000101617912 554806382 /nfs/dbraw/zinc/80/63/82/554806382.db2.gz SYXQMQSCOLPHNI-FIRIVFDPSA-N 1 0 558.792 5.630 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101629467 554811496 /nfs/dbraw/zinc/81/14/96/554811496.db2.gz UUHULJDIZGITBK-RRAHZORUSA-N 1 0 598.666 5.653 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000101634230 554812447 /nfs/dbraw/zinc/81/24/47/554812447.db2.gz GNBRLBWKUXIWFA-AFDYPQSWSA-N 1 0 572.569 5.708 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636876 554813161 /nfs/dbraw/zinc/81/31/61/554813161.db2.gz DWERBXWKJZHGBE-SJARJILFSA-N 1 0 627.210 5.605 50 0 KKAARO O=C(c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000101636483 554813186 /nfs/dbraw/zinc/81/31/86/554813186.db2.gz VPRWLHIPMYVXDT-DFKUXCBWSA-N 1 0 572.174 7.111 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1 ZINC000101640085 554814297 /nfs/dbraw/zinc/81/42/97/554814297.db2.gz HNEKKDQDNZQIBH-UHFFFAOYSA-N 1 0 584.953 5.464 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000101671861 554825443 /nfs/dbraw/zinc/82/54/43/554825443.db2.gz TXVNHDUTJPUEOX-GGKJBDKJSA-N 1 0 595.482 6.984 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NC[C@H](C)C[NH+]4CCC(C)CC4)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000101676122 554828069 /nfs/dbraw/zinc/82/80/69/554828069.db2.gz BRVVVTKAAWKESW-VWLOTQADSA-N 1 0 566.746 6.859 50 0 KKAARO COc1cc(CNC(=O)COc2ccc(-c3ccsc3)cc2C[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000101790003 554838744 /nfs/dbraw/zinc/83/87/44/554838744.db2.gz JXGBGSKADRMHBU-UHFFFAOYSA-N 1 0 587.742 5.458 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000101840962 554843032 /nfs/dbraw/zinc/84/30/32/554843032.db2.gz OQXWCEYGVNMQCQ-IOWSJCHKSA-N 1 0 547.699 5.601 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000101866636 554845115 /nfs/dbraw/zinc/84/51/15/554845115.db2.gz RXULDOAKFUBZBB-UHFFFAOYSA-N 1 0 559.780 5.713 50 0 KKAARO CCOC(=O)N1CCc2c(sc(NC(=O)C[NH2+]Cc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101891871 554846464 /nfs/dbraw/zinc/84/64/64/554846464.db2.gz OOULQGWHXPAVTE-UHFFFAOYSA-N 1 0 571.497 5.006 50 0 KKAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000101917496 554850903 /nfs/dbraw/zinc/85/09/03/554850903.db2.gz PSHXIOKOWMPKMH-UHFFFAOYSA-N 1 0 565.696 5.079 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000101991019 554863889 /nfs/dbraw/zinc/86/38/89/554863889.db2.gz KSEILDOPDXTUFS-WPHQEQLXSA-N 1 0 551.131 5.202 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)c(OC)c1 ZINC000102045738 554870005 /nfs/dbraw/zinc/87/00/05/554870005.db2.gz RQGXGUUJUITAQI-SETSBSEESA-N 1 0 573.753 6.995 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)c(OC)c1 ZINC000102045723 554870041 /nfs/dbraw/zinc/87/00/41/554870041.db2.gz RQGXGUUJUITAQI-QCDSWUKFSA-N 1 0 573.753 6.995 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccccc1F ZINC000102045852 554870047 /nfs/dbraw/zinc/87/00/47/554870047.db2.gz FBRFVEJSADWSOT-FYBSXPHGSA-N 1 0 543.727 6.986 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccccc1Br ZINC000102048204 554870463 /nfs/dbraw/zinc/87/04/63/554870463.db2.gz JORYGMXASZAEFQ-UHFFFAOYSA-N 1 0 538.534 5.384 50 0 KKAARO COc1cccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079630 554875824 /nfs/dbraw/zinc/87/58/24/554875824.db2.gz QDUVGLSMEJDKNU-NDEPHWFRSA-N 1 0 553.703 6.348 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc(I)c1O ZINC000102084856 554876282 /nfs/dbraw/zinc/87/62/82/554876282.db2.gz ZZBIKJGJJNREBG-JOCHJYFZSA-N 1 0 561.445 5.444 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098274 554880390 /nfs/dbraw/zinc/88/03/90/554880390.db2.gz AJUYWEKSDZUJOC-DEOSSOPVSA-N 1 0 570.509 6.324 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102129641 554884406 /nfs/dbraw/zinc/88/44/06/554884406.db2.gz DMOHKXXGEWOYDF-UHFFFAOYSA-N 1 0 620.770 5.077 50 0 KKAARO COc1ccc(C(=O)N2CCN(CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1C(F)(F)F ZINC000102148469 554889444 /nfs/dbraw/zinc/88/94/44/554889444.db2.gz GWDURAXVFINALV-UHFFFAOYSA-N 1 0 581.462 6.975 50 0 KKAARO O=C1CCCN1c1ccc(C[NH+](Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1 ZINC000102186818 554893795 /nfs/dbraw/zinc/89/37/95/554893795.db2.gz GNEZKYPBOLIPRI-UHFFFAOYSA-N 1 0 528.288 6.541 50 0 KKAARO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000102240258 554902528 /nfs/dbraw/zinc/90/25/28/554902528.db2.gz LTZKEDSUXKTTTC-KXQOOQHDSA-N 1 0 603.770 8.388 50 0 in-vitro KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000102254120 554904207 /nfs/dbraw/zinc/90/42/07/554904207.db2.gz VGZUEQGSTMMCAP-NGQVCNFZSA-N 1 0 543.777 6.065 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254125 554904217 /nfs/dbraw/zinc/90/42/17/554904217.db2.gz DGBGBNJZXBYKTR-KDYSTLNUSA-N 1 0 555.666 5.786 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254108 554904255 /nfs/dbraw/zinc/90/42/55/554904255.db2.gz RGYKOMQVFFEZHE-DCFHFQCYSA-N 1 0 556.559 6.074 50 0 KKAARO Cc1cccc(-n2c(SCC(=O)N[C@@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 ZINC000102290556 554907533 /nfs/dbraw/zinc/90/75/33/554907533.db2.gz RLVGFVGOPQJRGO-VWLOTQADSA-N 1 0 608.833 6.544 50 0 KKAARO C[C@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(Oc3ccccc3)c2)n1)c1ccccc1 ZINC000102418988 554925125 /nfs/dbraw/zinc/92/51/25/554925125.db2.gz QMDLAOJTDPYMTO-SANMLTNESA-N 1 0 570.693 7.684 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000102589651 554973758 /nfs/dbraw/zinc/97/37/58/554973758.db2.gz JUZPNJOPXNGIET-UHFFFAOYSA-N 1 0 539.705 5.018 50 0 KKAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000102605546 554978451 /nfs/dbraw/zinc/97/84/51/554978451.db2.gz DVOONUAQANCMPF-UHFFFAOYSA-N 1 0 580.758 5.166 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102611967 554981691 /nfs/dbraw/zinc/98/16/91/554981691.db2.gz UVIXXKPZDMCXQT-CRYGHQKDSA-N 1 0 574.190 7.118 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000102661968 555000668 /nfs/dbraw/zinc/00/06/68/555000668.db2.gz UBYXKEZTSVAMML-YTTGMZPUSA-N 1 0 599.816 6.124 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000102669950 555002387 /nfs/dbraw/zinc/00/23/87/555002387.db2.gz CBAVBQDSOXZIBD-IOWSJCHKSA-N 1 0 547.699 5.730 50 0 KKAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000102714121 555017918 /nfs/dbraw/zinc/01/79/18/555017918.db2.gz YEVBJGINDSMMEK-FREGXXQWSA-N 1 0 544.692 5.698 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102731118 555023798 /nfs/dbraw/zinc/02/37/98/555023798.db2.gz WWANSLLHTQGQCP-LITSAYRRSA-N 1 0 546.633 6.735 50 0 KKAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102745407 555037154 /nfs/dbraw/zinc/03/71/54/555037154.db2.gz VGAMAJUYWVALNG-PMERELPUSA-N 1 0 558.748 5.729 50 0 KKAARO CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102761423 555052747 /nfs/dbraw/zinc/05/27/47/555052747.db2.gz VPHPLBLPSHSMEZ-HHHXNRCGSA-N 1 0 534.682 5.073 50 0 KKAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102764378 555054355 /nfs/dbraw/zinc/05/43/55/555054355.db2.gz IRJVPHLHIFVSGK-ANYBSYGZSA-N 1 0 548.152 6.628 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCCCCC3)C2=O)cc1Br ZINC000102769087 555056710 /nfs/dbraw/zinc/05/67/10/555056710.db2.gz CVTGCXQUKXCVJA-XIEYBQDHSA-N 1 0 558.542 5.320 50 0 KKAARO CN(C)[C@H](C[NH+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000102773703 555062132 /nfs/dbraw/zinc/06/21/32/555062132.db2.gz SPNBKVUSSNSXEI-NCHCQHTJSA-N 1 0 562.751 5.095 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784687 555067281 /nfs/dbraw/zinc/06/72/81/555067281.db2.gz TWKWAZIBGSDRHU-OAQYLSRUSA-N 1 0 534.125 6.646 50 0 KKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000102787647 555068019 /nfs/dbraw/zinc/06/80/19/555068019.db2.gz FDCDEYBFAKZGDW-LJISFOLRSA-N 1 0 585.789 7.669 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787856 555068329 /nfs/dbraw/zinc/06/83/29/555068329.db2.gz RNEXBILIQYCXEN-BGDIREAQSA-N 1 0 602.804 6.223 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787678 555068339 /nfs/dbraw/zinc/06/83/39/555068339.db2.gz BJUJMLYEWZEWKF-CKWSZQMZSA-N 1 0 608.852 6.745 50 0 KKAARO COc1ccc([C@H](C)[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000102791403 555068934 /nfs/dbraw/zinc/06/89/34/555068934.db2.gz BGILIDOZSPNEAV-UAZQSIJYSA-N 1 0 577.737 6.108 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839083 555080475 /nfs/dbraw/zinc/08/04/75/555080475.db2.gz GYRPANCBDYEPOZ-GPNASLBKSA-N 1 0 537.729 5.920 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1Br ZINC000102850913 555085791 /nfs/dbraw/zinc/08/57/91/555085791.db2.gz DTRRFKPVIYHFBG-HXUWFJFHSA-N 1 0 556.524 5.665 50 0 KKAARO CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102940674 555169486 /nfs/dbraw/zinc/16/94/86/555169486.db2.gz KKJRZVJAANAPNF-GDLZYMKVSA-N 1 0 544.721 5.304 50 0 KKAARO CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102941012 555169843 /nfs/dbraw/zinc/16/98/43/555169843.db2.gz WXOVBUYZTPQMNZ-NDEPHWFRSA-N 1 0 532.710 5.196 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103020572 555211741 /nfs/dbraw/zinc/21/17/41/555211741.db2.gz KVOPPVNBBRSAOY-GOXGLGGOSA-N 1 0 573.753 6.995 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000103024397 555214791 /nfs/dbraw/zinc/21/47/91/555214791.db2.gz FHBKKCDAULCUHM-UHFFFAOYSA-N 1 0 560.545 6.463 50 0 KKAARO CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@@H]([C@@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000103047103 555228742 /nfs/dbraw/zinc/22/87/42/555228742.db2.gz SFFJARIKISDPGV-OQOFHLOUSA-N 1 0 534.660 5.738 50 0 KKAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCN(c4cccc(OC)c4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052192 555234355 /nfs/dbraw/zinc/23/43/55/555234355.db2.gz ZXXOGPRLYYFKCZ-SETSBSEESA-N 1 0 567.652 5.330 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000103065006 555245674 /nfs/dbraw/zinc/24/56/74/555245674.db2.gz FAZTZRDCVFHKTH-HKBQPEDESA-N 1 0 569.790 6.579 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000103068827 555249490 /nfs/dbraw/zinc/24/94/90/555249490.db2.gz GTOJOTBGUDHPAO-XLNFBEDTSA-N 1 0 601.835 8.417 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccsc2)cc1 ZINC000103089745 555268686 /nfs/dbraw/zinc/26/86/86/555268686.db2.gz VXZSKMSCLAVLQN-MUUNZHRXSA-N 1 0 580.179 5.410 50 0 KKAARO Cn1nc(-c2ccccc2)c(CN(Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1ccc(F)cc1 ZINC000103098453 555275797 /nfs/dbraw/zinc/27/57/97/555275797.db2.gz LXZYMYRDLIUVKL-XMMPIXPASA-N 1 0 531.584 5.784 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000103176416 555327436 /nfs/dbraw/zinc/32/74/36/555327436.db2.gz OMTUQBZKIPMJMO-SSEXGKCCSA-N 1 0 555.763 6.189 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190338 555333190 /nfs/dbraw/zinc/33/31/90/555333190.db2.gz QVRWSQYDIQXACY-VAVYLYDRSA-N 1 0 553.625 5.888 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190347 555333211 /nfs/dbraw/zinc/33/32/11/555333211.db2.gz QVRWSQYDIQXACY-IRPSRAIASA-N 1 0 553.625 5.888 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219957 555340699 /nfs/dbraw/zinc/34/06/99/555340699.db2.gz OIYUTYASRCXJPF-MXBOTTGLSA-N 1 0 552.656 7.844 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000103285061 555352823 /nfs/dbraw/zinc/35/28/23/555352823.db2.gz YBFLYMSICIBXEV-UHFFFAOYSA-N 1 0 555.142 6.448 50 0 KKAARO COc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103365932 555365862 /nfs/dbraw/zinc/36/58/62/555365862.db2.gz JLMGGXILLNJVAR-UHFFFAOYSA-N 1 0 555.455 5.113 50 0 KKAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccc(Cl)cc1)nn2-c1ccc(C)cc1 ZINC000103371280 555367106 /nfs/dbraw/zinc/36/71/06/555367106.db2.gz JIXDRDSFOAJRDK-WJOKGBTCSA-N 1 0 604.176 5.357 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1 ZINC000103420803 555401377 /nfs/dbraw/zinc/40/13/77/555401377.db2.gz ROMRFNMMHUQUKN-FOEBFOTMSA-N 1 0 615.862 8.726 50 0 KKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3cccc(Oc4ccccc4)c3)c3ccccc32)cc1 ZINC000103421181 555401974 /nfs/dbraw/zinc/40/19/74/555401974.db2.gz KCOFFWSIPBRFHL-UMSFTDKQSA-N 1 0 557.738 7.524 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435280 555417699 /nfs/dbraw/zinc/41/76/99/555417699.db2.gz GPYPMTXZOSLUGD-WIOPSUGQSA-N 1 0 534.544 6.889 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000103536538 555435898 /nfs/dbraw/zinc/43/58/98/555435898.db2.gz KTRQPGCQCLNHPI-TVCBXBRYSA-N 1 0 552.845 5.661 50 0 KKAARO C[n+]1c(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000103550317 555443443 /nfs/dbraw/zinc/44/34/43/555443443.db2.gz ACJOVGFZWHPVFM-VQJSHJPSSA-N 1 0 568.744 9.371 50 0 KKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000103727825 555465508 /nfs/dbraw/zinc/46/55/08/555465508.db2.gz HWHJDXUHNMMLSZ-ISTJGCCRSA-N 1 0 541.692 6.039 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000104797780 562825132 /nfs/dbraw/zinc/82/51/32/562825132.db2.gz JONCTUOIKOGBBK-LXNVINCZSA-N 1 0 564.151 5.765 50 0 KKAARO CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000169296228 562852443 /nfs/dbraw/zinc/85/24/43/562852443.db2.gz SFFJARIKISDPGV-OKNVFKEHSA-N 1 0 534.660 5.738 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000248342635 562881650 /nfs/dbraw/zinc/88/16/50/562881650.db2.gz YOTKJXYNGWBHAW-RJNBBFARSA-N 1 0 527.624 5.471 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288032 571361534 /nfs/dbraw/zinc/36/15/34/571361534.db2.gz QYTFWAQAXDFUST-HATVSKDLSA-N 1 0 623.536 7.764 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@H]([NH+]3CCCCC3)C[C@H]12 ZINC000103899947 571368982 /nfs/dbraw/zinc/36/89/82/571368982.db2.gz WBNSZLXBDDJMBW-SCTDOJESSA-N 1 0 541.921 5.891 50 0 KKAARO Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)n(Cc4ccccc4)c3nc12 ZINC000103910544 571369474 /nfs/dbraw/zinc/36/94/74/571369474.db2.gz UEAXJAWYIIPQDM-UHFFFAOYSA-N 1 0 567.693 5.553 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000104147831 571375186 /nfs/dbraw/zinc/37/51/86/571375186.db2.gz LKQVHROZTSZOMJ-GUARRIROSA-N 1 0 595.582 5.311 50 0 KKAARO COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1=O ZINC000104776071 571385999 /nfs/dbraw/zinc/38/59/99/571385999.db2.gz ZFVJONGWMAEUMW-JDNLVSNKSA-N 1 0 552.760 5.080 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984710 571388780 /nfs/dbraw/zinc/38/87/80/571388780.db2.gz OGYHAFLRQKSIBR-BJKOFHAPSA-N 1 0 533.883 6.220 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105019211 571389257 /nfs/dbraw/zinc/38/92/57/571389257.db2.gz MBWCVSFPSHMRRG-LMSSTIIKSA-N 1 0 508.628 7.028 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042052 571390236 /nfs/dbraw/zinc/39/02/36/571390236.db2.gz OIYUTYASRCXJPF-HVNZXBJASA-N 1 0 552.656 7.844 50 0 KKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000105046467 571390338 /nfs/dbraw/zinc/39/03/38/571390338.db2.gz GLMDYCBUKYPIDM-FGZHOGPDSA-N 1 0 504.955 6.420 50 0 KKAARO COc1ccccc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)C1 ZINC000105042585 571390347 /nfs/dbraw/zinc/39/03/47/571390347.db2.gz WBRNZEMHVSKXTL-SQHAQQRYSA-N 1 0 528.590 6.620 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108473056 571425872 /nfs/dbraw/zinc/42/58/72/571425872.db2.gz XVZJUSYOQZVBQP-OZFFBDCXSA-N 1 0 620.882 7.184 50 0 KKAARO Clc1ccc2c(c1)C[C@H](S[C@@H](CC[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800588 571426607 /nfs/dbraw/zinc/42/66/07/571426607.db2.gz FRNBINOLPGJIEE-TWJUONSBSA-N 1 0 571.255 8.771 50 0 KKAARO Cc1ccc(Oc2ccc(C[NH+]3CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)nc1 ZINC000136635088 571449609 /nfs/dbraw/zinc/44/96/09/571449609.db2.gz RIKIDKPECTYJDN-UHFFFAOYSA-N 1 0 600.603 8.368 50 0 KKAARO CC(C)OC(=O)Nc1cccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000136997993 571449952 /nfs/dbraw/zinc/44/99/52/571449952.db2.gz UZURRSUNLWSMMY-UHFFFAOYSA-N 1 0 626.594 7.589 50 0 KKAARO CCOC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000137016014 571449962 /nfs/dbraw/zinc/44/99/62/571449962.db2.gz LMDBVQNDXHHSPU-UHFFFAOYSA-N 1 0 612.567 7.200 50 0 KKAARO CCCC[C@@H]1Oc2ccccc2[C@@H]1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000150339762 571457614 /nfs/dbraw/zinc/45/76/14/571457614.db2.gz YOBBAFJNSYRSGE-GOTSBHOMSA-N 1 0 647.335 6.534 50 0 KKAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000150378712 571466825 /nfs/dbraw/zinc/46/68/25/571466825.db2.gz BFWWFXJMWPCYHH-UHFFFAOYSA-N 1 0 650.197 5.495 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389003 571471392 /nfs/dbraw/zinc/47/13/92/571471392.db2.gz GYSYWKLTBMTNFG-UHFFFAOYSA-N 1 0 658.157 9.888 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389072 571471454 /nfs/dbraw/zinc/47/14/54/571471454.db2.gz KNYHEGRGNUUSRX-UHFFFAOYSA-N 1 0 699.763 8.916 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000150389039 571471479 /nfs/dbraw/zinc/47/14/79/571471479.db2.gz IPLJYSSVVTZWKG-UHFFFAOYSA-N 1 0 634.047 8.116 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389229 571471664 /nfs/dbraw/zinc/47/16/64/571471664.db2.gz NZJXUIWBSMUQBF-OQLLNIDSSA-N 1 0 702.166 9.316 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389240 571471667 /nfs/dbraw/zinc/47/16/67/571471667.db2.gz PUAYBQMBUXOMCT-PXLXIMEGSA-N 1 0 691.831 10.587 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389196 571471707 /nfs/dbraw/zinc/47/17/07/571471707.db2.gz NOQZIOFBCRDCJJ-OVCLIPMQSA-N 1 0 676.559 9.952 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150397356 571476904 /nfs/dbraw/zinc/47/69/04/571476904.db2.gz SUOAIZDSYFILQK-MHZLTWQESA-N 1 0 631.029 6.190 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414613 571485127 /nfs/dbraw/zinc/48/51/27/571485127.db2.gz RNHKBOGCVNNKCL-GDLZYMKVSA-N 1 0 664.228 5.069 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150419201 571486801 /nfs/dbraw/zinc/48/68/01/571486801.db2.gz KSYONLGXPVXHOQ-LJAQVGFWSA-N 1 0 654.208 5.430 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150419196 571486875 /nfs/dbraw/zinc/48/68/75/571486875.db2.gz KSYONLGXPVXHOQ-GDLZYMKVSA-N 1 0 654.208 5.430 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1 ZINC000150463024 571507041 /nfs/dbraw/zinc/50/70/41/571507041.db2.gz IIEZYEINZDLLTM-XMMPIXPASA-N 1 0 651.193 7.287 50 0 biogenic KKAARO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1Nc1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150471552 571509562 /nfs/dbraw/zinc/50/95/62/571509562.db2.gz HEXRAFKDTQBYCB-UHFFFAOYSA-N 1 0 660.243 8.844 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000150596596 571522400 /nfs/dbraw/zinc/52/24/00/571522400.db2.gz XBNVUWBMHHIFIC-WHMAPKLYSA-N 1 0 690.807 7.774 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150610312 571523032 /nfs/dbraw/zinc/52/30/32/571523032.db2.gz AZLDHAXKHQJGGK-NQVJXQQZSA-N 1 0 673.824 7.823 50 0 KKAARO COCC[NH2+]Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1 ZINC000164334830 571545879 /nfs/dbraw/zinc/54/58/79/571545879.db2.gz WLAVZAAODLTUSW-UHFFFAOYSA-N 1 0 629.689 6.522 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677738 571555328 /nfs/dbraw/zinc/55/53/28/571555328.db2.gz FQTVRXMMHLCPII-VPUSJEBWSA-N 1 0 511.563 5.067 50 0 KKAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678767 571555873 /nfs/dbraw/zinc/55/58/73/571555873.db2.gz SNBZYKGSARCDRH-VPUSJEBWSA-N 1 0 509.572 5.258 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679824 571556535 /nfs/dbraw/zinc/55/65/35/571556535.db2.gz WAVLQOGKLZLFIK-NAKRPHOHSA-N 1 0 542.617 6.867 50 0 KKAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681829 571557749 /nfs/dbraw/zinc/55/77/49/571557749.db2.gz XGMJJTFICUCZKJ-BDYUSTAISA-N 1 0 511.563 5.067 50 0 KKAARO C[C@H](c1nnc2n1CCCC2)[NH+](CCCc1c(F)cccc1Cl)CCCc1c(F)cccc1Cl ZINC000225513135 571883995 /nfs/dbraw/zinc/88/39/95/571883995.db2.gz LXXBZMWQWYUQAI-GOSISDBHSA-N 1 0 507.456 6.828 50 0 KKAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261492663 572110756 /nfs/dbraw/zinc/11/07/56/572110756.db2.gz ZTGCOBLSZBJKBB-UHFFFAOYSA-N 1 0 507.038 5.730 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)cs3)n2)c(OC)c1 ZINC000226816794 572142011 /nfs/dbraw/zinc/14/20/11/572142011.db2.gz RXGUCKFJONMYEH-KKSFZXQISA-N 1 0 549.619 5.026 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000229823500 572160026 /nfs/dbraw/zinc/16/00/26/572160026.db2.gz IOJSFOKYYCHIOW-XYZQIWJFSA-N 1 0 656.864 7.531 50 0 biogenic KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228531 572205244 /nfs/dbraw/zinc/20/52/44/572205244.db2.gz JGNGLITYQVEAHL-QHZFHHJPSA-N 1 0 570.803 5.997 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245245555 572217876 /nfs/dbraw/zinc/21/78/76/572217876.db2.gz DCQZWIQNJSXJFW-LWSSLDFYSA-N 1 0 582.376 5.622 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279150 572224212 /nfs/dbraw/zinc/22/42/12/572224212.db2.gz FJVGAVQSDAUGSC-UKILVPOCSA-N 1 0 511.638 5.176 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000245343420 572238441 /nfs/dbraw/zinc/23/84/41/572238441.db2.gz OIYUTYASRCXJPF-SUYBVONHSA-N 1 0 552.656 7.844 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247524198 572242845 /nfs/dbraw/zinc/24/28/45/572242845.db2.gz YTLHLQORJMVPHZ-JOCHJYFZSA-N 1 0 507.465 5.920 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247513856 572242884 /nfs/dbraw/zinc/24/28/84/572242884.db2.gz UWDNTDRSSSSAHO-NRFANRHFSA-N 1 0 551.916 6.012 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247507516 572242929 /nfs/dbraw/zinc/24/29/29/572242929.db2.gz RYSPZJPVACBZGF-FQEVSTJZSA-N 1 0 582.340 6.079 50 0 KKAARO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247521705 572242983 /nfs/dbraw/zinc/24/29/83/572242983.db2.gz XTUSRJUTTTZKFL-KRWDZBQOSA-N 1 0 541.852 6.431 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247736910 572244106 /nfs/dbraw/zinc/24/41/06/572244106.db2.gz LJPMGWFWZOKQBI-GOSISDBHSA-N 1 0 507.407 5.778 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247740878 572244117 /nfs/dbraw/zinc/24/41/17/572244117.db2.gz NTAHKXJNUHUBDJ-RUZDIDTESA-N 1 0 534.635 6.594 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736034 572244132 /nfs/dbraw/zinc/24/41/32/572244132.db2.gz KWZDVWCEMZJFDE-VWLOTQADSA-N 1 0 595.541 7.218 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247741023 572244217 /nfs/dbraw/zinc/24/42/17/572244217.db2.gz NYOSVKCAOFCZRC-GOSISDBHSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247742896 572244269 /nfs/dbraw/zinc/24/42/69/572244269.db2.gz OPYPFEKLSGKYMJ-JOCHJYFZSA-N 1 0 539.477 6.792 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247808006 572245423 /nfs/dbraw/zinc/24/54/23/572245423.db2.gz CKUYAYBACIZZMA-DEOSSOPVSA-N 1 0 562.545 5.952 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247833285 572245713 /nfs/dbraw/zinc/24/57/13/572245713.db2.gz LPIRUWTWNVHHKM-OAQYLSRUSA-N 1 0 594.518 5.668 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846343 572246041 /nfs/dbraw/zinc/24/60/41/572246041.db2.gz HGLZNIXDIKSBFG-PMERELPUSA-N 1 0 648.649 6.934 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247843928 572246118 /nfs/dbraw/zinc/24/61/18/572246118.db2.gz GGSRWZRZRFUYOE-QFIPXVFZSA-N 1 0 576.514 5.488 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247849125 572246269 /nfs/dbraw/zinc/24/62/69/572246269.db2.gz HZELURLJXRHJRR-JOCHJYFZSA-N 1 0 565.615 5.744 50 0 KKAARO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247855518 572246600 /nfs/dbraw/zinc/24/66/00/572246600.db2.gz COWXHSMJWFTCHC-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247862339 572246771 /nfs/dbraw/zinc/24/67/71/572246771.db2.gz NADPNDWLHOFCLR-OAQYLSRUSA-N 1 0 533.598 5.004 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867658 572247288 /nfs/dbraw/zinc/24/72/88/572247288.db2.gz PFIDVHUPIFQJFH-QFIPXVFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000247874651 572247585 /nfs/dbraw/zinc/24/75/85/572247585.db2.gz SOKPWDCDBFMGSM-QHCPKHFHSA-N 1 0 558.524 5.349 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247879974 572247897 /nfs/dbraw/zinc/24/78/97/572247897.db2.gz VIBOHMWTFSFTAP-NRFANRHFSA-N 1 0 594.504 5.627 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247877834 572247913 /nfs/dbraw/zinc/24/79/13/572247913.db2.gz UNBFEPGUCWDJKK-OAQYLSRUSA-N 1 0 610.959 6.141 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247889217 572248275 /nfs/dbraw/zinc/24/82/75/572248275.db2.gz MHYAEJCHFRPABK-RUZDIDTESA-N 1 0 620.581 5.597 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247921606 572249568 /nfs/dbraw/zinc/24/95/68/572249568.db2.gz XWVQYWPILDAPAJ-QHCPKHFHSA-N 1 0 503.046 5.275 50 0 KKAARO CCCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)C(C)C ZINC000247983620 572251533 /nfs/dbraw/zinc/25/15/33/572251533.db2.gz IAVWZVKSBABHDI-OAQYLSRUSA-N 1 0 511.508 6.037 50 0 KKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000248002976 572251779 /nfs/dbraw/zinc/25/17/79/572251779.db2.gz AYIYLRIOAIWQDC-AOYPEHQESA-N 1 0 511.638 5.177 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@H]12 ZINC000248048459 572252958 /nfs/dbraw/zinc/25/29/58/572252958.db2.gz WBNSZLXBDDJMBW-NRRYGQPISA-N 1 0 541.921 5.891 50 0 KKAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1C ZINC000248059703 572252968 /nfs/dbraw/zinc/25/29/68/572252968.db2.gz CUWXCWCBURIDAX-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000248074479 572253110 /nfs/dbraw/zinc/25/31/10/572253110.db2.gz AVKSALOHMDYIGJ-LSYYVWMOSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000248089389 572253381 /nfs/dbraw/zinc/25/33/81/572253381.db2.gz LYTUNMVFZHHQPS-FQRUVTKNSA-N 1 0 508.087 5.031 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100850 572253658 /nfs/dbraw/zinc/25/36/58/572253658.db2.gz PBHKFLMPTSNKMG-BHBYDHKZSA-N 1 0 534.666 7.705 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000248107894 572253725 /nfs/dbraw/zinc/25/37/25/572253725.db2.gz RFSYZUIEKFFPTC-NIYFSFCBSA-N 1 0 542.532 5.684 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248106535 572253768 /nfs/dbraw/zinc/25/37/68/572253768.db2.gz LSQMQGXTVHSESX-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000248116198 572253948 /nfs/dbraw/zinc/25/39/48/572253948.db2.gz VGZUEQGSTMMCAP-AYWVHJORSA-N 1 0 543.777 6.065 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248116577 572253965 /nfs/dbraw/zinc/25/39/65/572253965.db2.gz BJPJUHPTPGEYRF-MXMCVKMKSA-N 1 0 586.644 5.694 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000248139278 572255133 /nfs/dbraw/zinc/25/51/33/572255133.db2.gz OREUHWJXLLJEAM-CPONHVLOSA-N 1 0 586.644 5.694 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 ZINC000248147229 572255506 /nfs/dbraw/zinc/25/55/06/572255506.db2.gz TXVNHDUTJPUEOX-YRAGKPRHSA-N 1 0 595.482 6.984 50 0 KKAARO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248156960 572255998 /nfs/dbraw/zinc/25/59/98/572255998.db2.gz ZUIIYMKAKGSURQ-HSZRJFAPSA-N 1 0 588.550 5.357 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164834 572256186 /nfs/dbraw/zinc/25/61/86/572256186.db2.gz QTXMIGVAITZXAJ-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174007 572256247 /nfs/dbraw/zinc/25/62/47/572256247.db2.gz XYKLEBQEQQPAMU-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167441 572256287 /nfs/dbraw/zinc/25/62/87/572256287.db2.gz SMZIVQGSJKQGLY-HHHXNRCGSA-N 1 0 556.154 5.916 50 0 KKAARO CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248195095 572256553 /nfs/dbraw/zinc/25/65/53/572256553.db2.gz ONYGOYDHSJNGAY-HXLKRRFRSA-N 1 0 572.730 7.463 50 0 KKAARO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248265342 572257452 /nfs/dbraw/zinc/25/74/52/572257452.db2.gz OBBAHLDVTGAGMQ-WNNVWSMLSA-N 1 0 532.684 6.599 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000251921268 572259547 /nfs/dbraw/zinc/25/95/47/572259547.db2.gz ASKZBLJJRVZGOF-MHZLTWQESA-N 1 0 556.154 5.861 50 0 KKAARO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252004461 572259669 /nfs/dbraw/zinc/25/96/69/572259669.db2.gz NXRGIXMZPUYBHY-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CCCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252310932 572259985 /nfs/dbraw/zinc/25/99/85/572259985.db2.gz RPGAKFDATPNBEX-JOCHJYFZSA-N 1 0 531.498 6.591 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@H]3CCC[C@@H]3[NH+]3CCN(C)CC3)cc2)CC1 ZINC000252512218 572262012 /nfs/dbraw/zinc/26/20/12/572262012.db2.gz ODKQFULXUUADEW-CJBSCAABSA-N 1 0 510.122 5.686 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4ccc(F)c(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252586343 572265321 /nfs/dbraw/zinc/26/53/21/572265321.db2.gz PHNNBMSMZUEJBY-XDEHMISASA-N 1 0 691.288 5.854 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccccc1 ZINC000252586665 572265589 /nfs/dbraw/zinc/26/55/89/572265589.db2.gz RQLLBFHXZIPOAD-YEUQMLTNSA-N 1 0 633.233 5.282 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586873 572265731 /nfs/dbraw/zinc/26/57/31/572265731.db2.gz UDUNPWMGWDRQOU-TUMUZXABSA-N 1 0 619.206 5.099 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000253388979 572283110 /nfs/dbraw/zinc/28/31/10/572283110.db2.gz MFGSFJQYWNQDQK-UZTOHYMASA-N 1 0 574.644 6.008 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253388972 572283143 /nfs/dbraw/zinc/28/31/43/572283143.db2.gz JPOOTSDVFNVPJE-KPURRNSFSA-N 1 0 501.696 5.021 50 0 KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[N@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504425 572296620 /nfs/dbraw/zinc/29/66/20/572296620.db2.gz CPJHDWYZEVQMHG-ZXAUVBRMSA-N 1 0 553.784 6.286 50 0 KKAARO CCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000253607357 572300940 /nfs/dbraw/zinc/30/09/40/572300940.db2.gz OYMBXIUPDKGUPR-JOCHJYFZSA-N 1 0 531.498 6.591 50 0 KKAARO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@@H]([C@H](C)CCc5nc6ccccc6[nH]5)[C@@]4(C)[C@@H](OC(C)=O)C[C@H]32)C1 ZINC000253614927 572301356 /nfs/dbraw/zinc/30/13/56/572301356.db2.gz KAGXMVQQPAECLR-ZSZRNXLMSA-N 1 0 548.768 7.264 50 0 KKAARO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCc5nc6ccccc6[nH]5)[C@@]4(C)[C@@H](OC(C)=O)C[C@H]32)C1 ZINC000253614926 572301359 /nfs/dbraw/zinc/30/13/59/572301359.db2.gz KAGXMVQQPAECLR-ZERMVQDXSA-N 1 0 548.768 7.264 50 0 KKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000257356931 572322012 /nfs/dbraw/zinc/32/20/12/572322012.db2.gz LDLFMTWFFWGZLY-TXINNOHSSA-N 1 0 511.835 8.424 50 0 KKAARO O=S(=O)(c1ccc(Cl)cc1Br)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022033139 1069756118 /nfs/dbraw/zinc/75/61/18/1069756118.db2.gz HEZVKQRSUKIGLH-UHFFFAOYSA-N 1 0 505.865 5.198 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000409413924 1069810652 /nfs/dbraw/zinc/81/06/52/1069810652.db2.gz LNMDUBOCPJNEFA-JTSJOTPCSA-N 1 0 584.757 6.804 50 0 KKAARO O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCc1ccc(C(F)(F)F)cc1 ZINC000101889995 1069822561 /nfs/dbraw/zinc/82/25/61/1069822561.db2.gz JUKWQPQHTRJFFY-ABYGYWHVSA-N 1 0 583.674 5.349 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000524731152 1069832464 /nfs/dbraw/zinc/83/24/64/1069832464.db2.gz LLTGVRIILDILAJ-LBNVMWSVSA-N 1 0 532.681 5.141 50 0 KKAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102112799 1069843195 /nfs/dbraw/zinc/84/31/95/1069843195.db2.gz LVKQRJHUSOIMLF-XMMPIXPASA-N 1 0 555.616 6.098 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000102170464 1069845192 /nfs/dbraw/zinc/84/51/92/1069845192.db2.gz NMPBYYFDMYXIMH-IZEXYCQBSA-N 1 0 584.116 5.953 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652886 1069851915 /nfs/dbraw/zinc/85/19/15/1069851915.db2.gz LLTGVRIILDILAJ-LSYYVWMOSA-N 1 0 532.681 5.141 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3cccc(Oc4ccccc4)c3)CN1Cc1ccccc1)CC2 ZINC000102386234 1069855407 /nfs/dbraw/zinc/85/54/07/1069855407.db2.gz SSKBOBJNZSHUMS-DITALETJSA-N 1 0 577.725 5.814 50 0 KKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102678498 1069862086 /nfs/dbraw/zinc/86/20/86/1069862086.db2.gz OOIDGVKADDJTRP-QHCPKHFHSA-N 1 0 575.738 7.258 50 0 KKAARO O=C([C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102586226 1069860498 /nfs/dbraw/zinc/86/04/98/1069860498.db2.gz OKVIREZMLOAWQH-XCZPVHLTSA-N 1 0 557.060 5.440 50 0 KKAARO CCN1c2c(ccc3ccccc23)S/C1=C\C=C\C1=C/C(=C/c2sc3cc(Cl)ccc3[n+]2CC)CC(C)(C)C1 ZINC000685944253 1070939896 /nfs/dbraw/zinc/93/98/96/1070939896.db2.gz GVAXPRMVWPWCGE-UHFFFAOYSA-N 1 0 570.247 10.175 50 0 KKAARO CCN1c2ccccc2S/C1=C/C=C/C1=C/C(=C/c2sc3cc(OC)c(C)cc3[n+]2CC)CC(C)(C)C1 ZINC000685944620 1070944451 /nfs/dbraw/zinc/94/44/51/1070944451.db2.gz QIABHYBTTALNMQ-UHFFFAOYSA-N 1 0 529.795 8.685 50 0 KKAARO CCN1c2ccccc2S/C1=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000685944684 1070945068 /nfs/dbraw/zinc/94/50/68/1070945068.db2.gz SASKSLJSYADLQI-UHFFFAOYSA-N 1 0 638.967 9.896 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000103538637 1070969492 /nfs/dbraw/zinc/96/94/92/1070969492.db2.gz WPGGYJUEXCAPOP-FVYOSNSJSA-N 1 0 557.606 5.081 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)CN1C1Cc3ccccc3C1)CC2 ZINC000299790508 1071049262 /nfs/dbraw/zinc/04/92/62/1071049262.db2.gz BXMMSUPQHZQCCG-YTMVLYRLSA-N 1 0 579.663 5.007 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1Cc1cccc(Cl)c1 ZINC000299798253 1071049632 /nfs/dbraw/zinc/04/96/32/1071049632.db2.gz QTNZDSQJMPYIOQ-CDZUIXILSA-N 1 0 563.161 5.078 50 0 KKAARO Cc1ccccc1N=[P@@]1(N2CCN(C)CC2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000097994678 1071163401 /nfs/dbraw/zinc/16/34/01/1071163401.db2.gz JAIKEZRIVUZTRK-MEFYDPBGSA-N 1 0 524.653 7.050 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000011968563 1071233790 /nfs/dbraw/zinc/23/37/90/1071233790.db2.gz MUTXZKNXGJFLSM-UHFFFAOYSA-N 1 0 507.681 5.160 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219024 1071239455 /nfs/dbraw/zinc/23/94/55/1071239455.db2.gz IACHRYYGUZIACD-RUZDIDTESA-N 1 0 500.668 5.787 50 0 KKAARO Cn1ccc(CC(=O)N2CCCC[C@@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)c1 ZINC000014989726 1071245944 /nfs/dbraw/zinc/24/59/44/1071245944.db2.gz QWTLHHXHGBJHTI-MUUNZHRXSA-N 1 0 535.132 5.393 50 0 KKAARO CC1(C)CC(NC(=O)CCCCCCCCC(=O)NC2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1O ZINC000585162579 1071296313 /nfs/dbraw/zinc/29/63/13/1071296313.db2.gz HRLXVEDAEVFFFN-UHFFFAOYSA-O 1 0 509.756 5.249 50 0 KKAARO CCn1c(=O)/c(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000097983208 1072839277 /nfs/dbraw/zinc/83/92/77/1072839277.db2.gz NDDKIPZEVLSXAJ-WOXYQHHVSA-N 1 0 700.975 8.143 50 0 KKAARO O=C(c1cccnc1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055358116 1072899612 /nfs/dbraw/zinc/89/96/12/1072899612.db2.gz OEBBCWQPMGYDRC-MHZLTWQESA-N 1 0 519.089 5.521 50 0 KKAARO O=C(c1ccccn1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055253220 1072899918 /nfs/dbraw/zinc/89/99/18/1072899918.db2.gz WWDBUEDVHHMCLT-SANMLTNESA-N 1 0 519.089 5.521 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000211162009 1072911444 /nfs/dbraw/zinc/91/14/44/1072911444.db2.gz HZFVEPNNVWESTB-CDZUIXILSA-N 1 0 598.143 5.739 50 0 KKAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000001819892 551708737 /nfs/dbraw/zinc/70/87/37/551708737.db2.gz HIDNBNMCAVYJQC-PMERELPUSA-N 1 0 514.691 5.562 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000001833326 551711949 /nfs/dbraw/zinc/71/19/49/551711949.db2.gz LLVJDDOWYQDYQP-WJOKGBTCSA-N 1 0 569.499 7.332 50 0 biogenic KKAARO Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C[NH+]5CCC(Cc6ccccc6)CC5)cc4)cc3)sc2c1 ZINC000002076334 551750200 /nfs/dbraw/zinc/75/02/00/551750200.db2.gz ARIRELGSCCVOGI-UHFFFAOYSA-N 1 0 531.725 7.979 50 0 KKAARO CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000002093860 551760084 /nfs/dbraw/zinc/76/00/84/551760084.db2.gz KHVNMXCEWAZZBH-VBTAUBHQSA-N 1 0 546.715 5.641 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@H](c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002102371 551762531 /nfs/dbraw/zinc/76/25/31/551762531.db2.gz QVGDYEKEFSCDOK-QCENPCRXSA-N 1 0 530.713 5.154 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002152024 551778987 /nfs/dbraw/zinc/77/89/87/551778987.db2.gz HBKUIGBREOGUIE-DITALETJSA-N 1 0 542.768 6.269 50 0 biogenic KKAARO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000002193220 551791291 /nfs/dbraw/zinc/79/12/91/551791291.db2.gz ZEHAEZWSKQHRID-SANMLTNESA-N 1 0 568.488 7.708 50 0 KKAARO CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000002322150 552094392 /nfs/dbraw/zinc/09/43/92/552094392.db2.gz XQHVLQZUBRMASU-UKPGIYTDSA-N 1 0 526.280 6.706 50 0 KKAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000002402031 552111486 /nfs/dbraw/zinc/11/14/86/552111486.db2.gz CGJPRHXBMRSSLE-SANMLTNESA-N 1 0 518.997 5.141 50 0 KKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC[NH+](C)CC4)cc3)cc12 ZINC000002631212 552140009 /nfs/dbraw/zinc/14/00/09/552140009.db2.gz HUARMMDCTCUTET-UHFFFAOYSA-N 1 0 558.129 5.016 50 0 KKAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Oc3ccc4ccccc4c3C[NH+]3CCCCC3)cc12 ZINC000002643619 552144021 /nfs/dbraw/zinc/14/40/21/552144021.db2.gz QWBYHKZOSIMYMT-UHFFFAOYSA-N 1 0 516.066 7.407 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2)CC(C)C ZINC000002912931 552215330 /nfs/dbraw/zinc/21/53/30/552215330.db2.gz KDEHEZVRQOPDIK-UHFFFAOYSA-N 1 0 550.168 6.995 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007225 552255239 /nfs/dbraw/zinc/25/52/39/552255239.db2.gz ZLKVPPODKVPZLN-UHFFFAOYSA-N 1 0 580.801 6.218 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NC[C@H](C)C[NH+]4CCC(C)CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040358 552272750 /nfs/dbraw/zinc/27/27/50/552272750.db2.gz BEHRYROQOPFLNN-DEOSSOPVSA-N 1 0 527.734 6.404 50 0 KKAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1C ZINC000003047052 552276117 /nfs/dbraw/zinc/27/61/17/552276117.db2.gz URSPLJKDTOLNLB-UHFFFAOYSA-N 1 0 513.085 6.114 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000003049473 552276803 /nfs/dbraw/zinc/27/68/03/552276803.db2.gz CVUXCCLXVIELQQ-UHFFFAOYSA-N 1 0 501.696 6.077 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054276 552279565 /nfs/dbraw/zinc/27/95/65/552279565.db2.gz RDZHWCRXAAHKQC-OAQYLSRUSA-N 1 0 506.071 5.866 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)CCc1ccccc1 ZINC000003054764 552279966 /nfs/dbraw/zinc/27/99/66/552279966.db2.gz OVABVIKSAZHEDX-LGUFXXKBSA-N 1 0 550.522 5.220 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003063530 552284119 /nfs/dbraw/zinc/28/41/19/552284119.db2.gz XBHCKORLWPJFMT-UHFFFAOYSA-N 1 0 554.112 5.185 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003064293 552284371 /nfs/dbraw/zinc/28/43/71/552284371.db2.gz USZLHPFXKRZXHI-STKMKYKTSA-N 1 0 577.725 6.684 50 0 KKAARO CC(C)(C)c1cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000003107139 552289037 /nfs/dbraw/zinc/28/90/37/552289037.db2.gz XRYUQUUGRMVDNK-UHFFFAOYSA-O 1 0 512.717 9.265 50 0 KKAARO COc1ccc(C[C@@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@H+]2C)cc1OCc1ccccc1 ZINC000003124412 552291302 /nfs/dbraw/zinc/29/13/02/552291302.db2.gz CURDJXSTACNZNJ-MUUNZHRXSA-N 1 0 539.672 6.642 50 0 KKAARO CCC[NH+](CCC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003128832 552291942 /nfs/dbraw/zinc/29/19/42/552291942.db2.gz XTBURPOKYVGMOX-INIZCTEOSA-N 1 0 561.156 6.565 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)cc1 ZINC000003217667 552308399 /nfs/dbraw/zinc/30/83/99/552308399.db2.gz IGKUMILQIKEDJR-UHFFFAOYSA-N 1 0 517.629 6.806 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCC(C)CC4)cc3)C2=O)cc1 ZINC000003586382 552391519 /nfs/dbraw/zinc/39/15/19/552391519.db2.gz URMIKNPHUNACSZ-DFKUXCBWSA-N 1 0 523.677 5.814 50 0 KKAARO CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000003589141 552392025 /nfs/dbraw/zinc/39/20/25/552392025.db2.gz UTBIIWPEQCTBRD-OVVQPSECSA-N 1 0 518.082 5.844 50 0 KKAARO COc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000004122192 552440182 /nfs/dbraw/zinc/44/01/82/552440182.db2.gz ARVVXLHBKVNWOA-UHFFFAOYSA-N 1 0 542.079 6.502 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000004480517 552461545 /nfs/dbraw/zinc/46/15/45/552461545.db2.gz YNAUDRMREKVKAC-GHMVGRGESA-N 1 0 562.483 7.469 50 0 KKAARO COc1ccc(C2=CC(=O)N(CCC[N@H+](C)CCc3ccc(OC)c(OC)c3)c3ccccc3S2)cc1 ZINC000004486598 552461864 /nfs/dbraw/zinc/46/18/64/552461864.db2.gz UEGQSVRDPAIVDL-UHFFFAOYSA-N 1 0 518.679 5.757 50 0 KKAARO c1ccc(C([NH2+]CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004552072 552466405 /nfs/dbraw/zinc/46/64/05/552466405.db2.gz RWYUAMAONSKQNH-UHFFFAOYSA-N 1 0 545.726 8.577 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762120 552478919 /nfs/dbraw/zinc/47/89/19/552478919.db2.gz BPHGPEBLJVGOLN-HKBQPEDESA-N 1 0 615.800 5.027 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762095 552478946 /nfs/dbraw/zinc/47/89/46/552478946.db2.gz PXFCWXFQDMWEQR-WJOKGBTCSA-N 1 0 599.801 5.327 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762173 552479138 /nfs/dbraw/zinc/47/91/38/552479138.db2.gz GDXPOVZWHIHCQM-HHHXNRCGSA-N 1 0 614.574 5.676 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166855 552557182 /nfs/dbraw/zinc/55/71/82/552557182.db2.gz UUTMNUMCOLIVKH-UHFFFAOYSA-N 1 0 622.467 9.061 50 0 KKAARO Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166888 552557485 /nfs/dbraw/zinc/55/74/85/552557485.db2.gz YRMQRPPHWICIDV-GHRIWEEISA-N 1 0 635.723 9.262 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166881 552557517 /nfs/dbraw/zinc/55/75/17/552557517.db2.gz RCBITKNPLYAWAR-UHFFFAOYSA-N 1 0 627.656 8.079 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166885 552557534 /nfs/dbraw/zinc/55/75/34/552557534.db2.gz OYPDKRAZELTQSW-HMMYKYKNSA-N 1 0 635.723 9.289 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006166920 552557814 /nfs/dbraw/zinc/55/78/14/552557814.db2.gz SLPLLLKQXTUKKS-UHFFFAOYSA-N 1 0 618.048 8.497 50 0 KKAARO CC[NH+](CC)C[C@@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000008398874 552999897 /nfs/dbraw/zinc/99/98/97/552999897.db2.gz ZKKUPCHPZDHSHP-RUZDIDTESA-N 1 0 519.689 6.691 50 0 KKAARO CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008443860 553048386 /nfs/dbraw/zinc/04/83/86/553048386.db2.gz YDQPJXRIFVWUOO-IHAPDJFTSA-N 1 0 521.540 5.836 50 0 KKAARO OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000008448291 553055774 /nfs/dbraw/zinc/05/57/74/553055774.db2.gz LAQZFWDSIDHJER-UHFFFAOYSA-N 1 0 563.582 7.661 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3cccc(OC)c3OC)ccc2[nH+]c2c1CCCC2 ZINC000008591355 553082488 /nfs/dbraw/zinc/08/24/88/553082488.db2.gz VLORCDRZKICWAO-OBGWFSINSA-N 1 0 509.606 6.535 50 0 aggregator KKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21)Cc1ccccc1 ZINC000008595452 553088968 /nfs/dbraw/zinc/08/89/68/553088968.db2.gz SQAZFXFEECECMQ-UHFFFAOYSA-N 1 0 512.723 7.123 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597598 553093527 /nfs/dbraw/zinc/09/35/27/553093527.db2.gz RDJMEUYFOHYYET-RUZDIDTESA-N 1 0 580.150 5.718 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597817 553094003 /nfs/dbraw/zinc/09/40/03/553094003.db2.gz RMTPABMEPSZLAP-JOCHJYFZSA-N 1 0 527.496 5.826 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000008606344 553098259 /nfs/dbraw/zinc/09/82/59/553098259.db2.gz OBXUCWYYFUNNNT-UHFFFAOYSA-N 1 0 503.647 5.127 50 0 KKAARO COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717729 553129189 /nfs/dbraw/zinc/12/91/89/553129189.db2.gz IJYIBAINXSLCRV-SANMLTNESA-N 1 0 518.455 5.994 50 0 KKAARO O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008773729 553141807 /nfs/dbraw/zinc/14/18/07/553141807.db2.gz ORQUPXIYXYDAJT-PMERELPUSA-N 1 0 577.084 5.773 50 0 KKAARO CCOc1ccccc1C[NH+]1CCC(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000008811922 553149327 /nfs/dbraw/zinc/14/93/27/553149327.db2.gz JEXFRVNZSXNSGB-UHFFFAOYSA-N 1 0 531.722 6.145 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[N@H+](C)C(C)C)cc1OCC ZINC000008817899 553153143 /nfs/dbraw/zinc/15/31/43/553153143.db2.gz YLHJZWGLPWCDJK-RUZDIDTESA-N 1 0 512.691 5.290 50 0 biogenic KKAARO CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000008834863 553161185 /nfs/dbraw/zinc/16/11/85/553161185.db2.gz RCXTXVYELRYEEU-HSZRJFAPSA-N 1 0 513.432 5.231 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@H]1C ZINC000008856785 553167817 /nfs/dbraw/zinc/16/78/17/553167817.db2.gz ULVSGHLHXYPSAO-QGZVFWFLSA-N 1 0 513.432 5.869 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)nc2cc1Br ZINC000008911688 553184170 /nfs/dbraw/zinc/18/41/70/553184170.db2.gz SIIDFNGFNGSHSD-QGZVFWFLSA-N 1 0 523.541 5.055 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911930 553184966 /nfs/dbraw/zinc/18/49/66/553184966.db2.gz PWUTWMAUSCFXMM-UHFFFAOYSA-N 1 0 501.700 5.542 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000008923390 553190504 /nfs/dbraw/zinc/19/05/04/553190504.db2.gz MDJLTDUZXUOZDK-DEOSSOPVSA-N 1 0 509.603 5.701 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C(C)(C)C)cc1OCC ZINC000009007542 553198099 /nfs/dbraw/zinc/19/80/99/553198099.db2.gz OOOIKNRTWWAAAN-DEOSSOPVSA-N 1 0 512.691 5.338 50 0 biogenic KKAARO CC[NH+](CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009226984 553222240 /nfs/dbraw/zinc/22/22/40/553222240.db2.gz SUIPTCVYRLXINZ-YTTGMZPUSA-N 1 0 522.693 5.927 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227736 553222378 /nfs/dbraw/zinc/22/23/78/553222378.db2.gz YGPSNTUOKRHXGA-UHFFFAOYSA-N 1 0 539.696 5.216 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000009227905 553222601 /nfs/dbraw/zinc/22/26/01/553222601.db2.gz SKLZDSMJOKRKJM-UHFFFAOYSA-N 1 0 523.722 5.209 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000009347758 553244406 /nfs/dbraw/zinc/24/44/06/553244406.db2.gz RNDVDIGRXCCZKA-UHFFFAOYSA-N 1 0 502.106 6.595 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009407173 553256851 /nfs/dbraw/zinc/25/68/51/553256851.db2.gz VJTDEFHECFLXHS-URLMMPGGSA-N 1 0 530.738 5.013 50 0 KKAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000009407212 553256946 /nfs/dbraw/zinc/25/69/46/553256946.db2.gz UIIJHNXJGYOHPP-WUFINQPMSA-N 1 0 514.695 5.362 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H]1c1cccs1 ZINC000009432862 553262680 /nfs/dbraw/zinc/26/26/80/553262680.db2.gz WCEJDJPKEQUXHF-WUFINQPMSA-N 1 0 517.695 5.546 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433044 553262966 /nfs/dbraw/zinc/26/29/66/553262966.db2.gz UPJCCALPMBAUFV-WUFINQPMSA-N 1 0 503.712 5.713 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433568 553263312 /nfs/dbraw/zinc/26/33/12/553263312.db2.gz DREGXDDIMRKLTI-FQLXRVMXSA-N 1 0 513.707 5.752 50 0 KKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433692 553263332 /nfs/dbraw/zinc/26/33/32/553263332.db2.gz HPUUZLKCBMJUKJ-WDYNHAJCSA-N 1 0 531.722 6.125 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433505 553263344 /nfs/dbraw/zinc/26/33/44/553263344.db2.gz GJBGVNWKVVQVRR-URLMMPGGSA-N 1 0 515.723 6.000 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)CCC(=O)Nc3ccc4nc(N5CCCCC5)cc(C)c4c3)CC2)c1 ZINC000009776889 553306321 /nfs/dbraw/zinc/30/63/21/553306321.db2.gz AXIMBYTZZMYMDI-UHFFFAOYSA-N 1 0 541.740 5.589 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777094 553306458 /nfs/dbraw/zinc/30/64/58/553306458.db2.gz PVRUOXMSBKLFCD-UHFFFAOYSA-N 1 0 513.594 6.144 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cncc(Br)c3)ccc2[nH+]c2c1CCCC2 ZINC000009777099 553306471 /nfs/dbraw/zinc/30/64/71/553306471.db2.gz UNEOPAQKEGMYEM-UHFFFAOYSA-N 1 0 503.400 6.276 50 0 KKAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000009781788 553308205 /nfs/dbraw/zinc/30/82/05/553308205.db2.gz LTIGBEPXXOGOFS-DEOSSOPVSA-N 1 0 500.639 5.020 50 0 KKAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000009805953 553308680 /nfs/dbraw/zinc/30/86/80/553308680.db2.gz WYYJLXYWZVUTOV-UHFFFAOYSA-N 1 0 513.682 5.225 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836118 553310521 /nfs/dbraw/zinc/31/05/21/553310521.db2.gz RBBJCOWHMYNFJU-XZWHSSHBSA-N 1 0 531.672 5.553 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000009857685 553313529 /nfs/dbraw/zinc/31/35/29/553313529.db2.gz YBCZEUKHLGFWET-UHFFFAOYSA-N 1 0 526.081 5.345 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000009908028 553316570 /nfs/dbraw/zinc/31/65/70/553316570.db2.gz ILBZRZPPWGMTQA-UHFFFAOYSA-N 1 0 516.425 5.824 50 0 KKAARO CCCC[NH+](CCCC)Cc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000010035106 553326442 /nfs/dbraw/zinc/32/64/42/553326442.db2.gz NVRLEXMDMBTCEE-UHFFFAOYSA-N 1 0 509.090 7.582 50 0 KKAARO Cc1ccc(C(=O)N(CCC[NH3+])[C@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1 ZINC000011680804 553340231 /nfs/dbraw/zinc/34/02/31/553340231.db2.gz QJZRFPJCWMNVAV-MHZLTWQESA-N 1 0 517.073 5.595 50 0 in-vitro KKAARO Cc1nn(C)c(C)c1[C@H](C)[N@H+](C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910465 553348822 /nfs/dbraw/zinc/34/88/22/553348822.db2.gz ZFIBLSAZSVUPLQ-SFHVURJKSA-N 1 0 533.072 5.464 50 0 KKAARO Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012037774 553350361 /nfs/dbraw/zinc/35/03/61/553350361.db2.gz GTARKFYAOJRJNH-SANMLTNESA-N 1 0 514.699 5.319 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140882 553352358 /nfs/dbraw/zinc/35/23/58/553352358.db2.gz DHYLFWJGOBJOBX-UHFFFAOYSA-N 1 0 515.635 5.287 50 0 KKAARO COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)cc(OC)c1 ZINC000012160911 553352960 /nfs/dbraw/zinc/35/29/60/553352960.db2.gz KRJCZDPVYAAWCR-NRFANRHFSA-N 1 0 532.637 5.027 50 0 KKAARO C[NH+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000012368309 553359849 /nfs/dbraw/zinc/35/98/49/553359849.db2.gz OGMFZOJSYPPNGN-LBPRGKRZSA-N 1 0 505.048 5.005 50 0 KKAARO COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000012513600 553382548 /nfs/dbraw/zinc/38/25/48/553382548.db2.gz UQQCYVSBACLNDG-QFIPXVFZSA-N 1 0 516.638 5.061 50 0 KKAARO Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000012523749 553383162 /nfs/dbraw/zinc/38/31/62/553383162.db2.gz UPVFMIONNDMPRW-JOCHJYFZSA-N 1 0 508.636 5.388 50 0 KKAARO COc1cc(/C=C(/C(=O)N(C)C2CC[NH+](C)CC2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000012582661 553399479 /nfs/dbraw/zinc/39/94/79/553399479.db2.gz BDOHKFTUXJTUCO-ZXVVBBHZSA-N 1 0 500.639 5.473 50 0 KKAARO COc1ccc(OC[C@@H](O)C[NH+](CC(C)C)C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000013128598 553449994 /nfs/dbraw/zinc/44/99/94/553449994.db2.gz KQIWDZGCYSQECM-ZEQRLZLVSA-N 1 0 545.761 5.436 50 0 KKAARO COc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000013129698 553450797 /nfs/dbraw/zinc/45/07/97/553450797.db2.gz RMJSTGZLWQSKKI-VWLOTQADSA-N 1 0 509.444 5.604 50 0 KKAARO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](CCCC)CC3)c3cc(Br)ccc3n2)cc1 ZINC000013321659 553458420 /nfs/dbraw/zinc/45/84/20/553458420.db2.gz WCZJSVCQYMZIJK-UHFFFAOYSA-N 1 0 508.504 6.565 50 0 KKAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CC[NH+](Cc3ccccc3)CC2)CO4)cc1OC ZINC000013685167 553485076 /nfs/dbraw/zinc/48/50/76/553485076.db2.gz ZSCMFZRISPQIES-UHFFFAOYSA-N 1 0 512.606 5.294 50 0 KKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C\c1ccc(Cl)cc1 ZINC000013831150 553493027 /nfs/dbraw/zinc/49/30/27/553493027.db2.gz DYLGFOYVTXJFJP-JUSQWJSBSA-N 1 0 528.951 9.152 50 0 in-man KKAARO Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000013842923 553493051 /nfs/dbraw/zinc/49/30/51/553493051.db2.gz NKXOBFDWFRUORD-WJOKGBTCSA-N 1 0 506.650 5.291 50 0 KKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C\c1ccc(Cl)cc1 ZINC000013831151 553493134 /nfs/dbraw/zinc/49/31/34/553493134.db2.gz DYLGFOYVTXJFJP-QFYGQVNBSA-N 1 0 528.951 9.152 50 0 in-man KKAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946555 553544661 /nfs/dbraw/zinc/54/46/61/553544661.db2.gz NRAFOCOAXKZXKP-HXUWFJFHSA-N 1 0 505.684 5.888 50 0 KKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946764 553544803 /nfs/dbraw/zinc/54/48/03/553544803.db2.gz KNZXJFFWJVKDPM-OAQYLSRUSA-N 1 0 519.711 6.278 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947261 553545070 /nfs/dbraw/zinc/54/50/70/553545070.db2.gz ZQOLKVJBARGKNO-MHZLTWQESA-N 1 0 527.646 6.326 50 0 KKAARO CCCN(C)c1cc(Cl)nc(SCc2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000016570327 553567756 /nfs/dbraw/zinc/56/77/56/553567756.db2.gz IXSZJPNRHVXYNW-UHFFFAOYSA-N 1 0 524.134 5.663 50 0 KKAARO CCOc1ccc([C@@H]2[NH2+][C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000068582914 553591722 /nfs/dbraw/zinc/59/17/22/553591722.db2.gz KEVVQDVLUNYZPF-NZICQEIVSA-N 1 0 620.790 7.554 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc4ccccc43)N12 ZINC000070686494 553605309 /nfs/dbraw/zinc/60/53/09/553605309.db2.gz MBDHERZCJMVDLD-SHUZPENHSA-N 1 0 554.694 5.671 50 0 biogenic KKAARO O=C(c1ccccc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@H](Cc2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000070692189 553610186 /nfs/dbraw/zinc/61/01/86/553610186.db2.gz HXYVQBAVGBBNFB-PNQKXDKOSA-N 1 0 534.015 5.091 50 0 biogenic KKAARO CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019618399 553614976 /nfs/dbraw/zinc/61/49/76/553614976.db2.gz RYXWVOIAHOWXOH-LJAQVGFWSA-N 1 0 505.146 7.548 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553617988 /nfs/dbraw/zinc/61/79/88/553617988.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 1 0 517.585 5.064 50 0 biogenic KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242602 553627554 /nfs/dbraw/zinc/62/75/54/553627554.db2.gz ANXXMCDEUUKTMT-QNGWXLTQSA-N 1 0 521.658 5.005 50 0 KKAARO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1Cl ZINC000019891130 553630047 /nfs/dbraw/zinc/63/00/47/553630047.db2.gz MZYSKYFKNQMQQF-UHFFFAOYSA-N 1 0 500.050 5.066 50 0 KKAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2SC(C)C)C1=O ZINC000071767386 553636403 /nfs/dbraw/zinc/63/64/03/553636403.db2.gz YTMCUULROSPTMK-WJOKGBTCSA-N 1 0 501.740 6.599 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)C2=O)c1 ZINC000020355322 553641461 /nfs/dbraw/zinc/64/14/61/553641461.db2.gz BRSRTTCMLCASBM-LPKNDMPASA-N 1 0 537.704 6.060 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc3)C2=O)c1 ZINC000020355489 553641655 /nfs/dbraw/zinc/64/16/55/553641655.db2.gz GMWXSASUYHLBIY-SRWDPJRNSA-N 1 0 523.677 5.814 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000072177061 553645735 /nfs/dbraw/zinc/64/57/35/553645735.db2.gz VSTLDFFVZAQSGM-FGZHOGPDSA-N 1 0 580.150 5.431 50 0 KKAARO CC(C)c1nc2sc3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000020394804 553645746 /nfs/dbraw/zinc/64/57/46/553645746.db2.gz CJFFVPPDDRATPM-UHFFFAOYSA-N 1 0 519.718 6.763 50 0 KKAARO O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020405897 553645965 /nfs/dbraw/zinc/64/59/65/553645965.db2.gz XCXCTADEDYBQGZ-DXXRHUJXSA-N 1 0 512.997 5.094 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 ZINC000072315979 553647135 /nfs/dbraw/zinc/64/71/35/553647135.db2.gz UMBFDGUGXMOMHX-BQYQJAHWSA-N 1 0 577.651 6.459 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508479 553668023 /nfs/dbraw/zinc/66/80/23/553668023.db2.gz XOMYJDZULCAASN-URLMMPGGSA-N 1 0 530.738 5.461 50 0 KKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508711 553668387 /nfs/dbraw/zinc/66/83/87/553668387.db2.gz YXFSFFJSJMLLLX-XZWHSSHBSA-N 1 0 527.734 6.842 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000079204460 553669841 /nfs/dbraw/zinc/66/98/41/553669841.db2.gz IOJSFOKYYCHIOW-XJYNGCMMSA-N 1 0 656.864 7.531 50 0 biogenic KKAARO Cn1cc(C2(c3cn(C)c4ccccc34)CC[NH+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)c2ccccc21 ZINC000085392893 553679087 /nfs/dbraw/zinc/67/90/87/553679087.db2.gz SNXSALDQGJYWPH-VWLOTQADSA-N 1 0 516.689 6.105 50 0 KKAARO O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020726629 553690278 /nfs/dbraw/zinc/69/02/78/553690278.db2.gz IYNGBRPNQOKPDG-WMMMYUQOSA-N 1 0 525.718 5.627 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000020727654 553690607 /nfs/dbraw/zinc/69/06/07/553690607.db2.gz VHTSBFUHUDUWJQ-BWAHOGKJSA-N 1 0 529.628 5.662 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727882 553690990 /nfs/dbraw/zinc/69/09/90/553690990.db2.gz PAIZSPIFKXWLNH-VKINRBECSA-N 1 0 517.617 5.423 50 0 KKAARO Cc1ccc(NC(=O)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)cc1C ZINC000020733246 553692915 /nfs/dbraw/zinc/69/29/15/553692915.db2.gz HVONITMQIXYQSO-UHFFFAOYSA-N 1 0 537.192 7.845 50 0 KKAARO Cc1ccccc1NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733242 553692993 /nfs/dbraw/zinc/69/29/93/553692993.db2.gz RQCWWIURMCWZNZ-UHFFFAOYSA-N 1 0 539.233 7.701 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020733849 553693002 /nfs/dbraw/zinc/69/30/02/553693002.db2.gz AEKQAKDNIXJZMR-SWKFRHMKSA-N 1 0 529.656 6.034 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C[C@@H](O)CC2c3ccccc3-c3ccccc32)CC1 ZINC000020790575 553698103 /nfs/dbraw/zinc/69/81/03/553698103.db2.gz GJHFZSLUXJCFOI-IZZNHLLZSA-N 1 0 531.700 5.337 50 0 KKAARO CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C3=O)cc1 ZINC000020863784 553700445 /nfs/dbraw/zinc/70/04/45/553700445.db2.gz YYXNDEXCXKDAPD-UTKFAANNSA-N 1 0 547.788 5.534 50 0 KKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C4)cs1 ZINC000020917306 553703916 /nfs/dbraw/zinc/70/39/16/553703916.db2.gz FGXGPTSTGJRHHO-GUYCJALGSA-N 1 0 504.603 5.498 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@H](c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 ZINC000095719274 553709805 /nfs/dbraw/zinc/70/98/05/553709805.db2.gz YZHCZWLUIAZWEZ-RAVGUYNFSA-N 1 0 526.023 8.397 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000021486925 553709953 /nfs/dbraw/zinc/70/99/53/553709953.db2.gz RMJFSURTHRYTEK-LQFQNGICSA-N 1 0 524.712 7.763 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742833 553712393 /nfs/dbraw/zinc/71/23/93/553712393.db2.gz NFKZAYGAZSLISU-DSRMTXSPSA-N 1 0 767.400 8.019 50 0 KKAARO c1nn(-c2ccccc2)c2nc(N3CCCCC3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000022064288 553725451 /nfs/dbraw/zinc/72/54/51/553725451.db2.gz ZUXDHJBBPQGEPU-UHFFFAOYSA-N 1 0 529.692 5.717 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189815 553727105 /nfs/dbraw/zinc/72/71/05/553727105.db2.gz ZBOLDFALAJJQAG-ZUKKLESISA-N 1 0 510.081 6.216 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275491 553732474 /nfs/dbraw/zinc/73/24/74/553732474.db2.gz BPLVESQWOIMYKM-NEEKEDPPSA-N 1 0 525.737 6.847 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275559 553732701 /nfs/dbraw/zinc/73/27/01/553732701.db2.gz ZNKIZPIEHRBTDR-SVEHJYQDSA-N 1 0 513.701 6.977 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275561 553732762 /nfs/dbraw/zinc/73/27/62/553732762.db2.gz ZNKIZPIEHRBTDR-ABYGYWHVSA-N 1 0 513.701 6.977 50 0 KKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096277399 553734337 /nfs/dbraw/zinc/73/43/37/553734337.db2.gz WYDPIKXBPLLKDX-NDEPHWFRSA-N 1 0 525.693 5.749 50 0 KKAARO Cc1cccc(NC(=O)[C@@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281481 553737435 /nfs/dbraw/zinc/73/74/35/553737435.db2.gz QMTCUQUMPWAUCA-LITSAYRRSA-N 1 0 502.611 5.099 50 0 KKAARO Fc1ccc(C(CCC[NH+]2CCN([C@@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)c2ccc(F)cc2)cc1 ZINC000022789222 553750244 /nfs/dbraw/zinc/75/02/44/553750244.db2.gz BVGXOPYFUSODAF-JGCGQSQUSA-N 1 0 611.148 8.875 50 0 KKAARO Clc1ccc2nc(CCc3ccccc3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000096592658 553756421 /nfs/dbraw/zinc/75/64/21/553756421.db2.gz CRJCIHXNBFZEMV-UHFFFAOYSA-N 1 0 519.092 6.980 50 0 KKAARO CCOc1ccc(-c2nc3n(CC[NH+](CC)CC)c4ccccc4n3c2[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000096594167 553756631 /nfs/dbraw/zinc/75/66/31/553756631.db2.gz BKZGBWUZNFIUBB-HSZRJFAPSA-N 1 0 523.892 6.100 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Br)c1 ZINC000097105791 553758261 /nfs/dbraw/zinc/75/82/61/553758261.db2.gz UONLQHMKBFQJDG-NRFANRHFSA-N 1 0 507.270 5.621 50 0 KKAARO CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000023006856 553768690 /nfs/dbraw/zinc/76/86/90/553768690.db2.gz YXWMTJHZUFDDAI-SSEXGKCCSA-N 1 0 525.693 5.685 50 0 KKAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 ZINC000097945490 553772671 /nfs/dbraw/zinc/77/26/71/553772671.db2.gz XOKSQWQZDFDURF-UHFFFAOYSA-N 1 0 529.482 5.343 50 0 KKAARO CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCC[NH+](C(C)C)C(C)C ZINC000023330354 553773299 /nfs/dbraw/zinc/77/32/99/553773299.db2.gz NYMCEMVNCJNRSR-JOCHJYFZSA-N 1 0 524.797 5.094 50 0 KKAARO Cc1c(Cl)ccc2c(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000097945642 553773615 /nfs/dbraw/zinc/77/36/15/553773615.db2.gz ZEOIQLIKGHXGET-UHFFFAOYSA-N 1 0 533.075 6.806 50 0 KKAARO CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000023447083 553780849 /nfs/dbraw/zinc/78/08/49/553780849.db2.gz OLMUXJZBDNHCCZ-JOCHJYFZSA-N 1 0 504.675 5.519 50 0 KKAARO CCOc1cccc(-c2cccc(-c3nc(C[N@@H+]4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155773 553798755 /nfs/dbraw/zinc/79/87/55/553798755.db2.gz OTAQGNADWZKEKY-HHHXNRCGSA-N 1 0 538.801 9.018 50 0 KKAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097949335 553801450 /nfs/dbraw/zinc/80/14/50/553801450.db2.gz YNRAHMUQRJVHBM-UHFFFAOYSA-N 1 0 544.537 6.699 50 0 KKAARO Fc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000097955292 553830742 /nfs/dbraw/zinc/83/07/42/553830742.db2.gz ZMUUQGILHLYLIZ-IZLXSDGUSA-N 1 0 546.484 7.001 50 0 KKAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5cccc(Br)c5)ccc4n3C)CC2)cc1 ZINC000097955868 553834726 /nfs/dbraw/zinc/83/47/26/553834726.db2.gz PPPKFHCQJPZHJS-UHFFFAOYSA-N 1 0 532.486 5.261 50 0 KKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000097956285 553837405 /nfs/dbraw/zinc/83/74/05/553837405.db2.gz AOYGPGURRSABDK-UHFFFAOYSA-N 1 0 543.687 5.526 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccc(C)cc4c(-c4ccccc4)c3-c3ccccc3)CC2)cc1 ZINC000028464551 553842622 /nfs/dbraw/zinc/84/26/22/553842622.db2.gz DVVPMGSHVZDXFX-WJOKGBTCSA-N 1 0 515.701 6.775 50 0 KKAARO CCCC[NH2+][C@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097966192 553907348 /nfs/dbraw/zinc/90/73/48/553907348.db2.gz KTQKWBQWIXXNAY-DEOSSOPVSA-N 1 0 552.538 7.245 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000033356384 553941095 /nfs/dbraw/zinc/94/10/95/553941095.db2.gz SSIWQYDGHCDJNT-UHFFFAOYSA-N 1 0 602.091 5.290 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356768 553944177 /nfs/dbraw/zinc/94/41/77/553944177.db2.gz KWSJJVDGRSPSGS-XDFJSJKPSA-N 1 0 591.152 5.170 50 0 KKAARO Cc1ccc(-n2nc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000033356866 553945189 /nfs/dbraw/zinc/94/51/89/553945189.db2.gz KBWMLLWXIRLHGD-UHFFFAOYSA-N 1 0 547.703 5.260 50 0 KKAARO CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C[NH+]2CCCC2)c1 ZINC000097973076 553968158 /nfs/dbraw/zinc/96/81/58/553968158.db2.gz CLTWNWVTOBHGEJ-QPPIDDCLSA-N 1 0 589.820 8.985 50 0 KKAARO COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000034657168 553981834 /nfs/dbraw/zinc/98/18/34/553981834.db2.gz RVGUTXYKHMDBPX-UKJJDJLKSA-N 1 0 524.661 6.009 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671717 553982394 /nfs/dbraw/zinc/98/23/94/553982394.db2.gz UABWLVIVSKWJTJ-CZNDPXEESA-N 1 0 522.664 6.756 50 0 KKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccc(F)cc1F ZINC000034681905 553985708 /nfs/dbraw/zinc/98/57/08/553985708.db2.gz JICKEWVLGQWGPA-UHFFFAOYSA-N 1 0 514.576 6.117 50 0 KKAARO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683700 553985947 /nfs/dbraw/zinc/98/59/47/553985947.db2.gz GUMYZQBVXZAMIP-UHFFFAOYSA-N 1 0 510.528 5.844 50 0 KKAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698046 553991201 /nfs/dbraw/zinc/99/12/01/553991201.db2.gz QAKRCLCIHNZNCQ-WNJJXGMVSA-N 1 0 524.602 6.655 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698841 553991493 /nfs/dbraw/zinc/99/14/93/553991493.db2.gz RVLBJJXCIDMPPN-NEEKEDPPSA-N 1 0 502.649 6.964 50 0 KKAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000034698678 553991522 /nfs/dbraw/zinc/99/15/22/553991522.db2.gz ITTIUHJZQPCGAB-PXJZQJOASA-N 1 0 506.687 5.493 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699126 553991760 /nfs/dbraw/zinc/99/17/60/553991760.db2.gz ROTDXEFQIGLLJT-BKMJKUGQSA-N 1 0 501.568 6.187 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699116 553991876 /nfs/dbraw/zinc/99/18/76/553991876.db2.gz XKMMYWSSKCSTQC-BKMJKUGQSA-N 1 0 518.620 6.920 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699117 553992077 /nfs/dbraw/zinc/99/20/77/553992077.db2.gz XKMMYWSSKCSTQC-ATIYNZHBSA-N 1 0 518.620 6.920 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698883 553992089 /nfs/dbraw/zinc/99/20/89/553992089.db2.gz PBHKFLMPTSNKMG-OFSOJUDTSA-N 1 0 534.666 7.705 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699157 553992344 /nfs/dbraw/zinc/99/23/44/553992344.db2.gz BANXZYFKGPGFNK-ATIYNZHBSA-N 1 0 501.568 5.949 50 0 KKAARO FC(F)(F)c1ccc(C[N@@H+]2CCCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)cc1 ZINC000034707936 553993901 /nfs/dbraw/zinc/99/39/01/553993901.db2.gz MHCKDVWWYMACSN-UHFFFAOYSA-N 1 0 516.571 5.599 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831335 554017008 /nfs/dbraw/zinc/01/70/08/554017008.db2.gz BAXGKBAKHOCCAI-UHFFFAOYSA-N 1 0 505.682 5.079 50 0 KKAARO COc1ccccc1-c1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834316 554018632 /nfs/dbraw/zinc/01/86/32/554018632.db2.gz ZHYKWRNJERORFZ-HXUWFJFHSA-N 1 0 518.061 5.720 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834656 554018847 /nfs/dbraw/zinc/01/88/47/554018847.db2.gz WEEAECVLKXGRLX-UHFFFAOYSA-N 1 0 515.746 5.919 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)CCC1CCCC1 ZINC000034835409 554019614 /nfs/dbraw/zinc/01/96/14/554019614.db2.gz DQEJJBBJVXTXIG-UHFFFAOYSA-N 1 0 511.730 5.813 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc(C)cc1 ZINC000034835396 554019636 /nfs/dbraw/zinc/01/96/36/554019636.db2.gz HQPUFZSRXWZRBG-UHFFFAOYSA-N 1 0 505.682 5.465 50 0 KKAARO CCCCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)CC(C)C ZINC000034835759 554019927 /nfs/dbraw/zinc/01/99/27/554019927.db2.gz HZXOIGUHKNEGMH-UHFFFAOYSA-N 1 0 500.707 5.072 50 0 KKAARO CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)C2CC2)cc1 ZINC000034835636 554020007 /nfs/dbraw/zinc/02/00/07/554020007.db2.gz NFQBAHCHUHBVLO-UHFFFAOYSA-N 1 0 533.692 5.445 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000034859678 554021728 /nfs/dbraw/zinc/02/17/28/554021728.db2.gz CSUQHRYVIMMDIO-MTSDRYNISA-N 1 0 507.659 6.445 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000097995651 554036499 /nfs/dbraw/zinc/03/64/99/554036499.db2.gz PWFLLBJPUYVAOA-UHFFFAOYSA-N 1 0 552.469 5.127 50 0 KKAARO Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397197 554047776 /nfs/dbraw/zinc/04/77/76/554047776.db2.gz SFEMVODDGWCEDQ-UHFFFAOYSA-N 1 0 519.896 5.406 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(OC)cc(OC)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397179 554047831 /nfs/dbraw/zinc/04/78/31/554047831.db2.gz INBRWEZJTIEIAK-UHFFFAOYSA-N 1 0 522.715 5.386 50 0 KKAARO FC(F)(F)Oc1ccc(Nc2nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)nc(N3CCCCCC3)n2)cc1 ZINC000098003737 554056324 /nfs/dbraw/zinc/05/63/24/554056324.db2.gz RVCDRVSCZWAOTK-UHFFFAOYSA-N 1 0 571.692 5.985 50 0 KKAARO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005991 554060250 /nfs/dbraw/zinc/06/02/50/554060250.db2.gz KMHYZAIQYYMDLL-UAASXKLPSA-N 1 0 543.634 5.279 50 0 KKAARO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006284 554061025 /nfs/dbraw/zinc/06/10/25/554061025.db2.gz AYVCODBACZNFIJ-SVYKXHSXSA-N 1 0 573.660 5.287 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098007325 554063557 /nfs/dbraw/zinc/06/35/57/554063557.db2.gz SXAGVEHGYUSQRE-NZOAYYAZSA-N 1 0 562.497 5.555 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Cl ZINC000035774003 554073664 /nfs/dbraw/zinc/07/36/64/554073664.db2.gz KPNHOWKZTHTFLP-UHFFFAOYSA-N 1 0 528.093 5.616 50 0 KKAARO Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000035774558 554073873 /nfs/dbraw/zinc/07/38/73/554073873.db2.gz VWUZGCKKVZWBTJ-UHFFFAOYSA-N 1 0 533.782 5.726 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2ccc(F)cc2F)SCC1=O ZINC000098011074 554077156 /nfs/dbraw/zinc/07/71/56/554077156.db2.gz XQAKYQDCKISMPS-LJAQVGFWSA-N 1 0 596.103 5.318 50 0 KKAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000035842726 554081565 /nfs/dbraw/zinc/08/15/65/554081565.db2.gz JWBHWWNGKFNCOH-UHFFFAOYSA-N 1 0 504.074 5.931 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871441 554085705 /nfs/dbraw/zinc/08/57/05/554085705.db2.gz XGMJJTFICUCZKJ-XNMGPUDCSA-N 1 0 511.563 5.067 50 0 KKAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871392 554085872 /nfs/dbraw/zinc/08/58/72/554085872.db2.gz PSYPOUXRHNSNTM-ISKFKSNPSA-N 1 0 503.952 5.131 50 0 KKAARO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@H]23)c1 ZINC000035871975 554086565 /nfs/dbraw/zinc/08/65/65/554086565.db2.gz YAFRJORLWKGUDR-XNMGPUDCSA-N 1 0 509.572 5.258 50 0 KKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908046 554092352 /nfs/dbraw/zinc/09/23/52/554092352.db2.gz LJTKYKHOOQYBBA-ILBGXUMGSA-N 1 0 517.592 5.128 50 0 KKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908047 554092495 /nfs/dbraw/zinc/09/24/95/554092495.db2.gz LJTKYKHOOQYBBA-UKILVPOCSA-N 1 0 517.592 5.128 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910546 554094476 /nfs/dbraw/zinc/09/44/76/554094476.db2.gz NXNCWZHJMBVSLA-HHHXNRCGSA-N 1 0 501.621 6.311 50 0 KKAARO O=C(c1cccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](Cc4ccccc4)CC3)n2)c1)N1CCCC1 ZINC000098015097 554095851 /nfs/dbraw/zinc/09/58/51/554095851.db2.gz LWLUVMOYAFLMNT-UHFFFAOYSA-N 1 0 549.744 5.994 50 0 KKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000035927816 554101219 /nfs/dbraw/zinc/10/12/19/554101219.db2.gz OWHNPIVVMRUNKX-UHFFFAOYSA-N 1 0 506.629 5.566 50 0 KKAARO COc1ccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C2CC[NH+](C)CC2)CC(C)C)cc1 ZINC000035945011 554102434 /nfs/dbraw/zinc/10/24/34/554102434.db2.gz FWMIQEMFINXERM-UHFFFAOYSA-N 1 0 508.707 5.119 50 0 KKAARO Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000098019559 554112997 /nfs/dbraw/zinc/11/29/97/554112997.db2.gz LNAHZNNXOFUHHI-UHFFFAOYSA-N 1 0 552.672 5.083 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000098019725 554114128 /nfs/dbraw/zinc/11/41/28/554114128.db2.gz GKHHOZGJOQXMML-UHFFFAOYSA-N 1 0 583.129 5.460 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000098020116 554116865 /nfs/dbraw/zinc/11/68/65/554116865.db2.gz LROYAUBYIGLGBU-YTTGMZPUSA-N 1 0 569.790 5.979 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000098020115 554116891 /nfs/dbraw/zinc/11/68/91/554116891.db2.gz LROYAUBYIGLGBU-JGCGQSQUSA-N 1 0 569.790 5.979 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000098043740 554128657 /nfs/dbraw/zinc/12/86/57/554128657.db2.gz IFUTVBBIKMJMLR-LOSJGSFVSA-N 1 0 769.376 7.230 50 0 KKAARO [NH3+]C(COC(c1ccc(F)cc1)c1ccc(F)cc1)(COC(c1ccc(F)cc1)c1ccc(F)cc1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000098043793 554128938 /nfs/dbraw/zinc/12/89/38/554128938.db2.gz ZHRWRKRMDWHDMO-UHFFFAOYSA-N 1 0 727.745 9.937 50 0 KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000036007040 554131963 /nfs/dbraw/zinc/13/19/63/554131963.db2.gz JOYXXXWCYAFKLT-NKVKBKOUSA-N 1 0 513.613 6.715 50 0 KKAARO C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000098045561 554132467 /nfs/dbraw/zinc/13/24/67/554132467.db2.gz KRXLQVUJIJZVAB-HKBQPEDESA-N 1 0 615.822 6.302 50 0 KKAARO CCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)c(CN(C(=O)Nc2cccc(F)c2)C2CCCCC2)c1 ZINC000036016037 554135725 /nfs/dbraw/zinc/13/57/25/554135725.db2.gz BEUAEOGZBIZDIX-UHFFFAOYSA-N 1 0 523.697 6.071 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048143 554159846 /nfs/dbraw/zinc/15/98/46/554159846.db2.gz VZODFMDSMOQRNS-NDOUMJCMSA-N 1 0 765.014 9.920 50 0 KKAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000098048138 554159935 /nfs/dbraw/zinc/15/99/35/554159935.db2.gz XRPGHOCYUVKYDR-HSZRJFAPSA-N 1 0 665.357 5.225 50 0 KKAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)cc3)n2)CC1 ZINC000036065100 554163443 /nfs/dbraw/zinc/16/34/43/554163443.db2.gz HKRWYYFYIGZILA-UHFFFAOYSA-N 1 0 517.743 5.481 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc54)c3)cc2C(F)(F)F)CC1 ZINC000098209221 554177086 /nfs/dbraw/zinc/17/70/86/554177086.db2.gz SMPGEBOIKULBCT-UHFFFAOYSA-N 1 0 537.586 6.072 50 0 in-vitro KKAARO CC(C)(C)c1cc2cc(N(C(=O)c3cc(Cl)nc(Cl)c3)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000100001455 554177474 /nfs/dbraw/zinc/17/74/74/554177474.db2.gz VJBZMQGAEKADDD-UHFFFAOYSA-N 1 0 535.519 7.479 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)cc1 ZINC000036167677 554199932 /nfs/dbraw/zinc/19/99/32/554199932.db2.gz WJTDQGVXKFAFAU-UHFFFAOYSA-N 1 0 507.577 5.889 50 0 KKAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205355 554201320 /nfs/dbraw/zinc/20/13/20/554201320.db2.gz BQPSENSCVSOJSF-RUZDIDTESA-N 1 0 501.696 6.007 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302355 554212289 /nfs/dbraw/zinc/21/22/89/554212289.db2.gz QXCMYGNPDYIWRL-VWLOTQADSA-N 1 0 519.642 5.610 50 0 KKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100092817 554213099 /nfs/dbraw/zinc/21/30/99/554213099.db2.gz FRFJJDVKAIXDGI-DEOSSOPVSA-N 1 0 527.974 5.398 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000036304972 554214837 /nfs/dbraw/zinc/21/48/37/554214837.db2.gz ISGQHFPSGRKVEV-NRFANRHFSA-N 1 0 502.055 5.157 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000036304955 554214953 /nfs/dbraw/zinc/21/49/53/554214953.db2.gz AAYOBHHMPARSLG-XMMPIXPASA-N 1 0 506.046 5.585 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307274 554216416 /nfs/dbraw/zinc/21/64/16/554216416.db2.gz IXQVZYSKMBTJRB-HHHXNRCGSA-N 1 0 515.629 5.808 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341034 554220538 /nfs/dbraw/zinc/22/05/38/554220538.db2.gz WLJBSDBIAVQXDF-LJAQVGFWSA-N 1 0 532.084 5.990 50 0 KKAARO COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341698 554220996 /nfs/dbraw/zinc/22/09/96/554220996.db2.gz XNZYUGDBMCDATE-WJOKGBTCSA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344188 554222550 /nfs/dbraw/zinc/22/25/50/554222550.db2.gz NSZWIQUYJDSWBA-LJAQVGFWSA-N 1 0 515.629 5.475 50 0 KKAARO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344468 554223088 /nfs/dbraw/zinc/22/30/88/554223088.db2.gz ZAOKQPIOESCFGY-HKBQPEDESA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345793 554223568 /nfs/dbraw/zinc/22/35/68/554223568.db2.gz IXKKBHVDOVLRCT-HKBQPEDESA-N 1 0 525.693 5.953 50 0 KKAARO Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCC[N@H+](Cc4cccs4)CC3)c12 ZINC000037379564 554236708 /nfs/dbraw/zinc/23/67/08/554236708.db2.gz BEVQDDBYLZCEML-UHFFFAOYSA-N 1 0 512.658 5.628 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](Cc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000037380118 554237290 /nfs/dbraw/zinc/23/72/90/554237290.db2.gz UWZFXCXFKLKDPX-GRKNLSHJSA-N 1 0 523.765 7.341 50 0 KKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000037380185 554237526 /nfs/dbraw/zinc/23/75/26/554237526.db2.gz SQVWAXJCNYWLEF-MHZLTWQESA-N 1 0 511.666 5.441 50 0 KKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000037380181 554237534 /nfs/dbraw/zinc/23/75/34/554237534.db2.gz SQVWAXJCNYWLEF-HHHXNRCGSA-N 1 0 511.666 5.441 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523713 554250171 /nfs/dbraw/zinc/25/01/71/554250171.db2.gz GSVGNCIRFXJYSG-RBJSKKJNSA-N 1 0 530.581 6.998 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524008 554250204 /nfs/dbraw/zinc/25/02/04/554250204.db2.gz VARBROKZCAHOAP-GGXMVOPNSA-N 1 0 526.618 7.167 50 0 KKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c(C)c1 ZINC000038139102 554259041 /nfs/dbraw/zinc/25/90/41/554259041.db2.gz IHWJAXODVMHVKY-UHFFFAOYSA-N 1 0 562.761 5.653 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139257 554259945 /nfs/dbraw/zinc/25/99/45/554259945.db2.gz MEEIABGKRQRIOA-DEOSSOPVSA-N 1 0 549.760 5.598 50 0 KKAARO COc1ccc(-c2c(-c3ccccc3)c(C(=O)C(=O)NCCC[NH+](C)C)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000038144858 554266454 /nfs/dbraw/zinc/26/64/54/554266454.db2.gz LVDNWRBOKOPEGV-UHFFFAOYSA-N 1 0 595.696 5.712 50 0 biogenic KKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150040 554271261 /nfs/dbraw/zinc/27/12/61/554271261.db2.gz DAHYKHKOXKQRNL-JTHIVGNPSA-N 1 0 536.097 5.271 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163546 554282787 /nfs/dbraw/zinc/28/27/87/554282787.db2.gz FUZMQNZACIFDBL-XZWHSSHBSA-N 1 0 652.788 7.171 50 0 biogenic,in-vitro KKAARO CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCC[NH+](CCCC)CCCC)cc1 ZINC000049933061 554327322 /nfs/dbraw/zinc/32/73/22/554327322.db2.gz ZQTNQVWKHCQYLQ-UHFFFAOYSA-N 1 0 556.769 7.049 50 0 biogenic,fda KKAARO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 ZINC000052595966 554329765 /nfs/dbraw/zinc/32/97/65/554329765.db2.gz QYTDELRIMFHZQO-DHLKQENFSA-N 1 0 509.050 5.450 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371695 554347863 /nfs/dbraw/zinc/34/78/63/554347863.db2.gz LCJJPEZRVRBAPR-QNGWXLTQSA-N 1 0 538.113 5.519 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371691 554347873 /nfs/dbraw/zinc/34/78/73/554347873.db2.gz LCJJPEZRVRBAPR-DIPNUNPCSA-N 1 0 538.113 5.519 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)CC(C)C ZINC000053371850 554348144 /nfs/dbraw/zinc/34/81/44/554348144.db2.gz LIUFMZOETDJZRO-KDXMTYKHSA-N 1 0 566.167 6.011 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)CC(C)C ZINC000053371845 554348176 /nfs/dbraw/zinc/34/81/76/554348176.db2.gz LIUFMZOETDJZRO-LDLOPFEMSA-N 1 0 566.167 6.011 50 0 KKAARO Cc1nn2c(nc3c(c2N2CC[NH+](CCOc4cccc5ccccc54)CC2)CCCC3)c1-c1ccccc1 ZINC000054284503 554349393 /nfs/dbraw/zinc/34/93/93/554349393.db2.gz FJRQDTQCAYUENO-UHFFFAOYSA-N 1 0 517.677 5.938 50 0 KKAARO Cc1ccsc1C(=O)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055326857 554350565 /nfs/dbraw/zinc/35/05/65/554350565.db2.gz BISVWEAWMSDEJI-UHFFFAOYSA-N 1 0 510.103 5.716 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000057222757 554352664 /nfs/dbraw/zinc/35/26/64/554352664.db2.gz UKLXHULSYCOVRB-UHFFFAOYSA-N 1 0 522.045 5.083 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057222908 554353039 /nfs/dbraw/zinc/35/30/39/554353039.db2.gz BFQJLLNZVLZMSF-UHFFFAOYSA-N 1 0 512.437 5.745 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000057222953 554353166 /nfs/dbraw/zinc/35/31/66/554353166.db2.gz FNUOGPMDJAPNLL-UHFFFAOYSA-N 1 0 508.018 5.100 50 0 KKAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000100810794 554475207 /nfs/dbraw/zinc/47/52/07/554475207.db2.gz FUNRSXVVSCAMJQ-HHHXNRCGSA-N 1 0 596.367 6.102 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059932650 554481789 /nfs/dbraw/zinc/48/17/89/554481789.db2.gz YOTKJXYNGWBHAW-RHDHJKTESA-N 1 0 527.624 5.471 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2ccc(C)cc2s1 ZINC000060209668 554503392 /nfs/dbraw/zinc/50/33/92/554503392.db2.gz LLTDOVJLZTYQQL-UHFFFAOYSA-N 1 0 550.750 5.414 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209757 554503658 /nfs/dbraw/zinc/50/36/58/554503658.db2.gz OVOHHFRKXIBJOH-UHFFFAOYSA-N 1 0 546.734 5.377 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210162 554504085 /nfs/dbraw/zinc/50/40/85/554504085.db2.gz YSXZQZYPIOEHOC-UHFFFAOYSA-N 1 0 578.760 5.041 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000060210359 554504387 /nfs/dbraw/zinc/50/43/87/554504387.db2.gz COXJEXBARCJMJZ-UHFFFAOYSA-N 1 0 550.697 5.128 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000060233525 554504396 /nfs/dbraw/zinc/50/43/96/554504396.db2.gz WNIRMWMTUYAWRS-UHFFFAOYSA-N 1 0 570.687 5.315 50 0 KKAARO CCCCOc1ccc([C@](O)(CCC)[C@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426876 554508677 /nfs/dbraw/zinc/50/86/77/554508677.db2.gz ZGIIRWXTCHNSIL-QLWXXVCSSA-N 1 0 504.690 6.598 50 0 KKAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000100890305 554511608 /nfs/dbraw/zinc/51/16/08/554511608.db2.gz JEFQYKRYONJLAD-BHDXBOSCSA-N 1 0 575.172 5.857 50 0 KKAARO COc1ccccc1CN(C(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1)C1CC[NH+](C)CC1 ZINC000065330834 554526231 /nfs/dbraw/zinc/52/62/31/554526231.db2.gz YMJAFWNTPXUGJL-UHFFFAOYSA-N 1 0 510.059 5.857 50 0 KKAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 ZINC000100933081 554527886 /nfs/dbraw/zinc/52/78/86/554527886.db2.gz CYDYPMXGNCWVIC-UHFFFAOYSA-N 1 0 548.734 5.345 50 0 KKAARO CCC[C@H](OC)c1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000067664824 554532732 /nfs/dbraw/zinc/53/27/32/554532732.db2.gz QDIGHYCNRQYPFR-QFIPXVFZSA-N 1 0 675.345 7.081 50 0 in-vitro KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975243 554546784 /nfs/dbraw/zinc/54/67/84/554546784.db2.gz PGAMAJHGBBLEKD-LQSCNRDHSA-N 1 0 546.523 7.743 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976809 554547027 /nfs/dbraw/zinc/54/70/27/554547027.db2.gz JYAMMINFLKKSNR-XOFDCVHHSA-N 1 0 541.623 6.477 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2cccs2)SCC1=O ZINC000101050710 554568717 /nfs/dbraw/zinc/56/87/17/554568717.db2.gz WYGNZGQGTAHKCC-HHHXNRCGSA-N 1 0 566.152 5.101 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098460 554585523 /nfs/dbraw/zinc/58/55/23/554585523.db2.gz CIHIKSQWZCLWSS-KDYSTLNUSA-N 1 0 566.565 5.530 50 0 KKAARO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000101118277 554643631 /nfs/dbraw/zinc/64/36/31/554643631.db2.gz KGNITBUQLMJIEX-UHFFFAOYSA-N 1 0 526.983 6.358 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(Br)c(OC)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000101193438 554671376 /nfs/dbraw/zinc/67/13/76/554671376.db2.gz MOAFGZZSCCHEAE-UHFFFAOYSA-N 1 0 562.464 6.898 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2[nH+]c2c1CCCC2 ZINC000101193549 554671473 /nfs/dbraw/zinc/67/14/73/554671473.db2.gz VSJQQJUMCWKJGE-UHFFFAOYSA-N 1 0 536.857 7.534 50 0 KKAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216117 554682671 /nfs/dbraw/zinc/68/26/71/554682671.db2.gz AZIVGKYPGOXYBR-LJAQVGFWSA-N 1 0 621.804 5.099 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216568 554683982 /nfs/dbraw/zinc/68/39/82/554683982.db2.gz DHIUETCIWRHBJC-MUUNZHRXSA-N 1 0 626.610 5.545 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216513 554684080 /nfs/dbraw/zinc/68/40/80/554684080.db2.gz RWCMUDQKQXQYGR-YTTGMZPUSA-N 1 0 616.803 6.290 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c(-c4ccccc4)c(-c4ccccc4)c4ccc5ccccc5c43)CC2)cc1 ZINC000101221770 554687333 /nfs/dbraw/zinc/68/73/33/554687333.db2.gz MHSPNGWSJMTDKW-MGBGTMOVSA-N 1 0 551.734 7.620 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254729 554695477 /nfs/dbraw/zinc/69/54/77/554695477.db2.gz XBXIPHVEONRTFW-NDEPHWFRSA-N 1 0 566.768 5.327 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341483 554735719 /nfs/dbraw/zinc/73/57/19/554735719.db2.gz JSKRKRYCNHXIAO-SANMLTNESA-N 1 0 582.550 5.065 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352072 554738492 /nfs/dbraw/zinc/73/84/92/554738492.db2.gz QPMUFZKJDCOFFJ-KKLWWLSJSA-N 1 0 581.757 5.658 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1)CC(C)C ZINC000101372671 554744876 /nfs/dbraw/zinc/74/48/76/554744876.db2.gz HOBSQXHTIWSJRW-DXJNIWACSA-N 1 0 559.751 6.850 50 0 KKAARO C[N@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1)Cc1ccccc1 ZINC000101372849 554745058 /nfs/dbraw/zinc/74/50/58/554745058.db2.gz JDLPGVVICPZDDJ-YQYKVWLJSA-N 1 0 551.687 6.368 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)cc1 ZINC000101386152 554751266 /nfs/dbraw/zinc/75/12/66/554751266.db2.gz IGWFBYWUICWPQV-YZNIXAGQSA-N 1 0 542.724 5.709 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386122 554751307 /nfs/dbraw/zinc/75/13/07/554751307.db2.gz AZJGLKSQJNWUGV-IUDBTDONSA-N 1 0 582.745 6.340 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386201 554751397 /nfs/dbraw/zinc/75/13/97/554751397.db2.gz NUWQCCWWFGRSRO-LWQYYNMXSA-N 1 0 623.817 6.943 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386227 554751425 /nfs/dbraw/zinc/75/14/25/554751425.db2.gz XAPJFJSMPHQWMJ-GOJCVTOHSA-N 1 0 647.864 6.575 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386185 554751457 /nfs/dbraw/zinc/75/14/57/554751457.db2.gz LDWYSZQCVJPLQB-CPBHLAHYSA-N 1 0 593.772 6.142 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386214 554751495 /nfs/dbraw/zinc/75/14/95/554751495.db2.gz XPSUQOOIMPKGHI-SJHOIFEDSA-N 1 0 610.774 6.886 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000101416891 554765799 /nfs/dbraw/zinc/76/57/99/554765799.db2.gz ZTKZCRMPMAVYAR-UHFFFAOYSA-N 1 0 565.711 5.163 50 0 KKAARO Cc1nn2c(nc(C)c(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000101418792 554766698 /nfs/dbraw/zinc/76/66/98/554766698.db2.gz GSFOGJRIWASFGJ-UHFFFAOYSA-N 1 0 563.121 5.375 50 0 KKAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000101501533 554788719 /nfs/dbraw/zinc/78/87/19/554788719.db2.gz YZRGWWKSGKZJBX-XYOKQWHBSA-N 1 0 584.689 5.457 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000101506573 554790472 /nfs/dbraw/zinc/79/04/72/554790472.db2.gz UXBAIMHZSFUVRO-INKHBPHZSA-N 1 0 553.747 6.984 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)Cc1ccccc1 ZINC000101506733 554790674 /nfs/dbraw/zinc/79/06/74/554790674.db2.gz MHQHSNJIXDQJHD-AVLPFNLUSA-N 1 0 617.859 8.406 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000101507238 554791192 /nfs/dbraw/zinc/79/11/92/554791192.db2.gz WDLZNKBDCYDXNX-IWBSIUBASA-N 1 0 569.815 7.697 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)CC1 ZINC000101507847 554791568 /nfs/dbraw/zinc/79/15/68/554791568.db2.gz QGBFDVONOCOSPV-NJHZRGNWSA-N 1 0 599.179 5.361 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000101602819 554804524 /nfs/dbraw/zinc/80/45/24/554804524.db2.gz BRBBZXARKQYRNO-UHFFFAOYSA-N 1 0 552.696 6.471 50 0 KKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3c2=O)cc1 ZINC000101616996 554806150 /nfs/dbraw/zinc/80/61/50/554806150.db2.gz HWHJDXUHNMMLSZ-OVMXQCPESA-N 1 0 541.692 6.039 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)CC(C)C ZINC000101636427 554813195 /nfs/dbraw/zinc/81/31/95/554813195.db2.gz YDHSYPXHFAGGJI-ZCTHSVRISA-N 1 0 576.206 7.364 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636832 554813216 /nfs/dbraw/zinc/81/32/16/554813216.db2.gz XTFLTUMEXSLHAE-LDLOPFEMSA-N 1 0 566.167 6.299 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NC[C@H](C)C[NH+]4CCC(C)CC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000101677178 554828000 /nfs/dbraw/zinc/82/80/00/554828000.db2.gz OKOFXWXVSRGKEA-QHCPKHFHSA-N 1 0 538.692 6.079 50 0 KKAARO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000101827722 554841420 /nfs/dbraw/zinc/84/14/20/554841420.db2.gz ZJAZOIVCBNXIHV-UHFFFAOYSA-N 1 0 534.582 5.531 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H]1c1cccs1 ZINC000101843189 554843044 /nfs/dbraw/zinc/84/30/44/554843044.db2.gz WQHUCHLZOUDQRA-VMPREFPWSA-N 1 0 548.728 5.152 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869344 554845430 /nfs/dbraw/zinc/84/54/30/554845430.db2.gz PFNHGSLWBQCDJH-XMMPIXPASA-N 1 0 545.753 5.465 50 0 KKAARO Cc1ccccc1NC(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891062 554846495 /nfs/dbraw/zinc/84/64/95/554846495.db2.gz KTSPRCKTMNAAHN-FREGXXQWSA-N 1 0 565.684 5.840 50 0 KKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000101908406 554849155 /nfs/dbraw/zinc/84/91/55/554849155.db2.gz YLOOJOYPHQZSPL-UHFFFAOYSA-N 1 0 567.033 5.472 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101978794 554863395 /nfs/dbraw/zinc/86/33/95/554863395.db2.gz RKNHBRWTSPBISK-IHLOFXLRSA-N 1 0 579.210 5.975 50 0 KKAARO CC(C)c1ccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102016376 554867185 /nfs/dbraw/zinc/86/71/85/554867185.db2.gz SQCFJDWMTHFNNC-RNAHPLFWSA-N 1 0 557.739 5.909 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000102045816 554870008 /nfs/dbraw/zinc/87/00/08/554870008.db2.gz CSLZNTHRQBMYGL-OOOSNSGVSA-N 1 0 585.789 6.864 50 0 KKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084834 554876300 /nfs/dbraw/zinc/87/63/00/554876300.db2.gz APQBNYBVYZOZNO-MHZLTWQESA-N 1 0 560.075 6.617 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099004 554880769 /nfs/dbraw/zinc/88/07/69/554880769.db2.gz QDWKNZACXBCBPP-LBNVMWSVSA-N 1 0 562.598 7.738 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129629 554884451 /nfs/dbraw/zinc/88/44/51/554884451.db2.gz YTKYVMWQVUHKJG-UHFFFAOYSA-N 1 0 589.756 6.076 50 0 KKAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130451 554885262 /nfs/dbraw/zinc/88/52/62/554885262.db2.gz AMIHQPBFTVEGSG-UHFFFAOYSA-N 1 0 587.765 5.637 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135972 554887774 /nfs/dbraw/zinc/88/77/74/554887774.db2.gz JACUDBMFMXBBPT-OFVILXPXSA-N 1 0 559.579 5.670 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(Br)cc1)=N2 ZINC000102244049 554903310 /nfs/dbraw/zinc/90/33/10/554903310.db2.gz WDYRHGNXOQBJJW-UHFFFAOYSA-N 1 0 549.922 5.496 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102265535 554905410 /nfs/dbraw/zinc/90/54/10/554905410.db2.gz MWABQJGXMAULNC-UHFFFAOYSA-N 1 0 533.594 6.569 50 0 KKAARO Cc1cccc(-n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 ZINC000102290562 554907572 /nfs/dbraw/zinc/90/75/72/554907572.db2.gz RLVGFVGOPQJRGO-RUZDIDTESA-N 1 0 608.833 6.544 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000102309479 554909699 /nfs/dbraw/zinc/90/96/99/554909699.db2.gz GIHPBXQNSGSWCK-MFMCTBQISA-N 1 0 526.725 5.435 50 0 KKAARO CCOc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3sc(C)nc3c2)ccc1OC ZINC000102607684 554979859 /nfs/dbraw/zinc/97/98/59/554979859.db2.gz GKQASLDSNYBUIR-GGAORHGYSA-N 1 0 534.707 5.781 50 0 KKAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)Cc3ccccc3)CC2)C1 ZINC000102633706 554990146 /nfs/dbraw/zinc/99/01/46/554990146.db2.gz ALDOUODBZYUHDC-XMMPIXPASA-N 1 0 546.737 5.326 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc4ccccc4c3)C2)cc1OC ZINC000102662066 555000951 /nfs/dbraw/zinc/00/09/51/555000951.db2.gz TXFHIUJOYSRHMS-RRPNLBNLSA-N 1 0 555.650 5.389 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)C1 ZINC000102719637 555019597 /nfs/dbraw/zinc/01/95/97/555019597.db2.gz VFDAXEAIYIKFRI-FWOCFWLASA-N 1 0 542.543 5.413 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102720028 555019858 /nfs/dbraw/zinc/01/98/58/555019858.db2.gz ABKKAJMGWBGMKT-ZULKDDLISA-N 1 0 553.772 6.773 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102720013 555019927 /nfs/dbraw/zinc/01/99/27/555019927.db2.gz URFNQMGOQKRVMA-COQGUKRHSA-N 1 0 557.735 6.604 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102766483 555055207 /nfs/dbraw/zinc/05/52/07/555055207.db2.gz QSTLRSQVVHLQCH-USHMODERSA-N 1 0 567.677 6.602 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000102768150 555055819 /nfs/dbraw/zinc/05/58/19/555055819.db2.gz DBJBMKUEDJIDTP-UHFFFAOYSA-N 1 0 566.142 6.193 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C2=O)cc1Br ZINC000102768351 555056125 /nfs/dbraw/zinc/05/61/25/555056125.db2.gz ZHXXYVQRUSTDBY-PTFSYIGCSA-N 1 0 558.542 5.176 50 0 KKAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102772210 555061168 /nfs/dbraw/zinc/06/11/68/555061168.db2.gz LMNHSJQJTVBJIC-MKXVLRRNSA-N 1 0 513.597 5.163 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102773540 555062268 /nfs/dbraw/zinc/06/22/68/555062268.db2.gz PAJPQNKUPHTWLL-WFYOHKHESA-N 1 0 558.122 6.691 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000102775039 555062722 /nfs/dbraw/zinc/06/27/22/555062722.db2.gz ZDOBPVLKWVHRGQ-RYEBZEHMSA-N 1 0 542.543 5.700 50 0 KKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000102778311 555064360 /nfs/dbraw/zinc/06/43/60/555064360.db2.gz BNLCJXLASIINLB-XIVOGXDVSA-N 1 0 532.109 6.263 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784689 555067284 /nfs/dbraw/zinc/06/72/84/555067284.db2.gz TWKWAZIBGSDRHU-NRFANRHFSA-N 1 0 534.125 6.646 50 0 KKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102785091 555067479 /nfs/dbraw/zinc/06/74/79/555067479.db2.gz VYMWKYUAUSBMQB-RBJSKKJNSA-N 1 0 544.692 5.035 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102791860 555069264 /nfs/dbraw/zinc/06/92/64/555069264.db2.gz LMCYHBAQCSMHHI-UQRQXUALSA-N 1 0 576.206 7.652 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102849390 555084724 /nfs/dbraw/zinc/08/47/24/555084724.db2.gz NZOJQHDKNKEPRS-FQEVSTJZSA-N 1 0 595.632 6.801 50 0 KKAARO Cc1c(O)ccc2c(CN(Cc3ccc(-c4ccc(Cl)cc4)o3)Cc3cc(=O)oc4c(C)c(O)ccc34)cc(=O)oc12 ZINC000102851814 555086027 /nfs/dbraw/zinc/08/60/27/555086027.db2.gz NDFQJLGLPCWSLW-UHFFFAOYSA-N 1 0 584.024 7.043 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c3c1cccc3C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000102938952 555167634 /nfs/dbraw/zinc/16/76/34/555167634.db2.gz AGANOBGYSJSEIH-UHFFFAOYSA-N 1 0 557.572 6.054 50 0 KKAARO COc1cc(-c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)o2)cc(OC)c1OC ZINC000102992011 555192878 /nfs/dbraw/zinc/19/28/78/555192878.db2.gz AIMFJRPCZDYAJX-UHFFFAOYSA-N 1 0 532.666 5.263 50 0 KKAARO COc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024179 555214620 /nfs/dbraw/zinc/21/46/20/555214620.db2.gz MTFDSBPTBYNWLX-UHFFFAOYSA-N 1 0 541.696 5.724 50 0 KKAARO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000103046872 555228858 /nfs/dbraw/zinc/22/88/58/555228858.db2.gz AGKGAMJUHGCFTL-UHFFFAOYSA-N 1 0 532.062 5.020 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000103050376 555232775 /nfs/dbraw/zinc/23/27/75/555232775.db2.gz UTPIQTYFRDVFDJ-RUZDIDTESA-N 1 0 536.072 5.559 50 0 KKAARO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103052090 555234119 /nfs/dbraw/zinc/23/41/19/555234119.db2.gz CAUVRAMUISFTTM-JYFHCDHNSA-N 1 0 531.981 5.677 50 0 KKAARO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(Cc3ccccc3F)CC4)o2)cc1 ZINC000103061387 555242613 /nfs/dbraw/zinc/24/26/13/555242613.db2.gz JLWDTTCLDDTIME-UUWRZZSWSA-N 1 0 546.642 7.706 50 0 KKAARO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(Cc3ccccc3F)CC4)o2)cc1 ZINC000103061385 555242670 /nfs/dbraw/zinc/24/26/70/555242670.db2.gz JLWDTTCLDDTIME-UMSFTDKQSA-N 1 0 546.642 7.706 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000103064956 555245400 /nfs/dbraw/zinc/24/54/00/555245400.db2.gz VCQKEMVKMAUUQW-HKBQPEDESA-N 1 0 604.235 7.232 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccsc2)cc1 ZINC000103089742 555268668 /nfs/dbraw/zinc/26/86/68/555268668.db2.gz VXZSKMSCLAVLQN-NDEPHWFRSA-N 1 0 580.179 5.410 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@@H](OCc3ccc(F)cc3)[C@@H]2O1 ZINC000103124840 555292783 /nfs/dbraw/zinc/29/27/83/555292783.db2.gz NWIYZRWWUWVYGA-KMFVSHEXSA-N 1 0 594.646 5.211 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000103124916 555292980 /nfs/dbraw/zinc/29/29/80/555292980.db2.gz WYGJDEYUHXVZBL-DEJVGURISA-N 1 0 576.656 5.072 50 0 KKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CC[NH+]([C@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000103129279 555297749 /nfs/dbraw/zinc/29/77/49/555297749.db2.gz DCQOJPJDONNMCF-XCZPVHLTSA-N 1 0 536.701 5.079 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2cccc(Cl)c2)s1 ZINC000103131943 555301281 /nfs/dbraw/zinc/30/12/81/555301281.db2.gz PJXRMCIHLIRREW-UHFFFAOYSA-N 1 0 543.108 6.008 50 0 KKAARO Cc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000103159855 555320490 /nfs/dbraw/zinc/32/04/90/555320490.db2.gz SQRFXBBXRXSSEP-JGCGQSQUSA-N 1 0 555.719 5.657 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1ccccc1F ZINC000103234950 555341933 /nfs/dbraw/zinc/34/19/33/555341933.db2.gz DJMVKFHZZNAQKJ-UHFFFAOYSA-N 1 0 548.453 5.833 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103324857 555359050 /nfs/dbraw/zinc/35/90/50/555359050.db2.gz BKYXYVIMEMFLPF-NDEPHWFRSA-N 1 0 541.692 6.025 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103324862 555359066 /nfs/dbraw/zinc/35/90/66/555359066.db2.gz BKYXYVIMEMFLPF-MUUNZHRXSA-N 1 0 541.692 6.025 50 0 KKAARO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103363061 555365304 /nfs/dbraw/zinc/36/53/04/555365304.db2.gz FCXWUYCGGPJHNB-RCRUUEGKSA-N 1 0 548.728 6.113 50 0 KKAARO COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccc(Cl)cc2)nn3-c2ccc(C)cc2)c1 ZINC000103397829 555383920 /nfs/dbraw/zinc/38/39/20/555383920.db2.gz ZHTFQZIOCLFJRK-YTTGMZPUSA-N 1 0 634.202 5.365 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000103405381 555391556 /nfs/dbraw/zinc/39/15/56/555391556.db2.gz LJTNWWMZYNJDLT-VXQMPNGUSA-N 1 0 507.476 5.238 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103405415 555391691 /nfs/dbraw/zinc/39/16/91/555391691.db2.gz SAVSFDPMZIGHSU-XCZPVHLTSA-N 1 0 515.455 5.105 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccc(Cl)cc2)c1)NCC[NH+]1CCCC1 ZINC000103417012 555397783 /nfs/dbraw/zinc/39/77/83/555397783.db2.gz HBCNOHKTEJPQML-MGBGTMOVSA-N 1 0 596.146 8.008 50 0 KKAARO c1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)[n+](-c5ccccc5)c(-c5ccccc5)c4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000103563050 555449771 /nfs/dbraw/zinc/44/97/71/555449771.db2.gz DMMMWNHDZBDUQI-SJARJILFSA-N 1 0 604.777 10.320 50 0 KKAARO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000143790150 562835271 /nfs/dbraw/zinc/83/52/71/562835271.db2.gz IDKAKZRYYDCJDU-MCVFFFNQSA-N 1 0 562.513 5.303 50 0 in-vitro KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169301202 562852891 /nfs/dbraw/zinc/85/28/91/562852891.db2.gz SKRXFKGFKFOOKW-ZHQHWHAXSA-N 1 0 547.696 5.537 50 0 KKAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252383349 562881717 /nfs/dbraw/zinc/88/17/17/562881717.db2.gz LMNHSJQJTVBJIC-ZLROPWDRSA-N 1 0 513.597 5.163 50 0 KKAARO COc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101001908 571361208 /nfs/dbraw/zinc/36/12/08/571361208.db2.gz OTNBBUSVSKOYAD-CKHSQSCFSA-N 1 0 506.602 5.409 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288059 571361566 /nfs/dbraw/zinc/36/15/66/571361566.db2.gz HMSACZQRUSJPKE-JWXXLELASA-N 1 0 598.655 6.186 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000104005530 571371037 /nfs/dbraw/zinc/37/10/37/571371037.db2.gz MBERVRUVKNXIOP-GHMVGRGESA-N 1 0 614.064 8.284 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147453 571375260 /nfs/dbraw/zinc/37/52/60/571375260.db2.gz DQWOZLGJVALEIT-NSQROVRMSA-N 1 0 558.792 5.710 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000104147800 571375264 /nfs/dbraw/zinc/37/52/64/571375264.db2.gz MZHCOPLNARTXDR-GUARRIROSA-N 1 0 551.131 5.202 50 0 KKAARO O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920029 571387750 /nfs/dbraw/zinc/38/77/50/571387750.db2.gz CHRHPKPBYVNEJL-BKMJKUGQSA-N 1 0 515.526 5.528 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104919814 571387777 /nfs/dbraw/zinc/38/77/77/571387777.db2.gz FQTVRXMMHLCPII-XNMGPUDCSA-N 1 0 511.563 5.067 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984924 571388700 /nfs/dbraw/zinc/38/87/00/571388700.db2.gz UNHRXELDSPPWLW-IFMALSPDSA-N 1 0 523.844 5.813 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003662 571389077 /nfs/dbraw/zinc/38/90/77/571389077.db2.gz HTKFHQOSJUXRMI-JYFHCDHNSA-N 1 0 523.674 5.045 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000105046924 571390354 /nfs/dbraw/zinc/39/03/54/571390354.db2.gz GDURILCLJKJVSR-WXFUMESZSA-N 1 0 501.042 5.195 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000105042770 571390376 /nfs/dbraw/zinc/39/03/76/571390376.db2.gz DPQWSEXWSCVMDM-PIZZNKLWSA-N 1 0 524.627 5.875 50 0 KKAARO COc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc1 ZINC000105042578 571390379 /nfs/dbraw/zinc/39/03/79/571390379.db2.gz DVJQUUTVKFKJNJ-YWEHKCAJSA-N 1 0 528.590 6.620 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042281 571390398 /nfs/dbraw/zinc/39/03/98/571390398.db2.gz NEKMJQLHAZFCCA-RNAHPLFWSA-N 1 0 506.618 5.116 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000105061711 571390943 /nfs/dbraw/zinc/39/09/43/571390943.db2.gz ZRLFWKYXLLYDCH-KMRXNPHXSA-N 1 0 522.114 5.421 50 0 KKAARO COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000105793120 571408764 /nfs/dbraw/zinc/40/87/64/571408764.db2.gz WMPQAORGZVONAJ-MPFGFTFXSA-N 1 0 590.518 5.741 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@H]([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348468 571412187 /nfs/dbraw/zinc/41/21/87/571412187.db2.gz ZQUBRKJSKNTGGQ-MNPDLOSFSA-N 1 0 528.958 5.675 50 0 KKAARO COC(=O)c1[nH]c(Br)c2cc(NC(=O)CN3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000108802587 571426636 /nfs/dbraw/zinc/42/66/36/571426636.db2.gz YTDQLKOGGFXBFJ-UHFFFAOYSA-N 1 0 559.464 5.043 50 0 KKAARO COc1ccc(CCC[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000109799322 571430115 /nfs/dbraw/zinc/43/01/15/571430115.db2.gz MRQKEKCPWUQTSY-UHFFFAOYSA-N 1 0 583.569 7.073 50 0 KKAARO Cc1ccc(C(=O)N(CCC[NH3+])[C@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1 ZINC000113660258 571442276 /nfs/dbraw/zinc/44/22/76/571442276.db2.gz PGXYIBJJCLWJST-NDEPHWFRSA-N 1 0 517.069 6.534 50 0 in-vitro KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000147346685 571456714 /nfs/dbraw/zinc/45/67/14/571456714.db2.gz KZKYUIVPCVBNOY-HEVIKAOCSA-N 1 0 579.716 6.344 50 0 KKAARO CC(C)C(=O)Nc1ccn([C@H]2C[C@H](OP(OCCC#N)[NH+](C(C)C)C(C)C)[C@@H](COC(=O)OC[C@@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)n1 ZINC000150353941 571462866 /nfs/dbraw/zinc/46/28/66/571462866.db2.gz WIBNCZNHWIPMDL-LXZAXPNMSA-N 1 0 704.718 5.652 50 0 KKAARO O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387749 571470235 /nfs/dbraw/zinc/47/02/35/571470235.db2.gz WBTQHJIORQNRNM-UHFFFAOYSA-N 1 0 647.172 5.414 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CCC)CCC)cc1 ZINC000150388840 571471236 /nfs/dbraw/zinc/47/12/36/571471236.db2.gz FOABMJIKKLYXCD-UHFFFAOYSA-N 1 0 688.183 10.366 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150388928 571471242 /nfs/dbraw/zinc/47/12/42/571471242.db2.gz HPKKBVYWDZEZMN-UHFFFAOYSA-N 1 0 634.066 9.038 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389234 571471617 /nfs/dbraw/zinc/47/16/17/571471617.db2.gz QQBJNEXCAGFRQX-SFQUDFHCSA-N 1 0 677.804 10.386 50 0 KKAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000150396252 571476368 /nfs/dbraw/zinc/47/63/68/571476368.db2.gz FQCVUSOATGFSAW-MUUNZHRXSA-N 1 0 642.678 6.259 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396361 571476528 /nfs/dbraw/zinc/47/65/28/571476528.db2.gz SVMLZBZSLSVACA-GDLZYMKVSA-N 1 0 668.647 5.713 50 0 KKAARO Fc1nc(N2CCOCC2)c(F)c(Oc2cc(Br)c(Br)cc2OCCCC[NH+]2CCOCC2)c1Cl ZINC000150408573 571480836 /nfs/dbraw/zinc/48/08/36/571480836.db2.gz SFBMVMGPNJMXJV-UHFFFAOYSA-N 1 0 641.735 5.658 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414260 571484980 /nfs/dbraw/zinc/48/49/80/571484980.db2.gz WAOFNTRPZKUUCW-SSEXGKCCSA-N 1 0 648.229 5.056 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414588 571485092 /nfs/dbraw/zinc/48/50/92/571485092.db2.gz IJQMRYIFOLIOHA-PMERELPUSA-N 1 0 650.245 5.681 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414340 571485097 /nfs/dbraw/zinc/48/50/97/571485097.db2.gz XZOXWMKYKSGKLR-JGCGQSQUSA-N 1 0 675.827 5.334 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418275 571486492 /nfs/dbraw/zinc/48/64/92/571486492.db2.gz WEICJVWQCDXWBM-MGBGTMOVSA-N 1 0 656.849 5.938 50 0 KKAARO Cc1cc(Cl)ccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2c1 ZINC000150418598 571486655 /nfs/dbraw/zinc/48/66/55/571486655.db2.gz LSUARCASLUOVHW-UHFFFAOYSA-N 1 0 659.561 7.809 50 0 KKAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CC[NH+](C[C@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479487 571511701 /nfs/dbraw/zinc/51/17/01/571511701.db2.gz JGRPNZJSUKYMOG-AQOUDTPCSA-N 1 0 644.816 5.987 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150610308 571523053 /nfs/dbraw/zinc/52/30/53/571523053.db2.gz AZLDHAXKHQJGGK-ZJJOJAIXSA-N 1 0 673.824 7.823 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000150639352 571524615 /nfs/dbraw/zinc/52/46/15/571524615.db2.gz HKBHXZSLPKDQER-UKWQMNBVSA-N 1 0 688.879 8.203 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653727 571526220 /nfs/dbraw/zinc/52/62/20/571526220.db2.gz QYWSWKYZIAILOR-YTTGMZPUSA-N 1 0 670.851 5.616 50 0 biogenic KKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158988046 571529899 /nfs/dbraw/zinc/52/98/99/571529899.db2.gz NSLBTBGUFUPTCR-UIOOFZCWSA-N 1 0 759.370 7.774 50 0 KKAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000169677642 571554994 /nfs/dbraw/zinc/55/49/94/571554994.db2.gz ITTIUHJZQPCGAB-XRKRLSELSA-N 1 0 506.687 5.493 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679814 571556449 /nfs/dbraw/zinc/55/64/49/571556449.db2.gz WMWYVHAYEHDZTQ-GGXMVOPNSA-N 1 0 526.618 7.167 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680883 571557147 /nfs/dbraw/zinc/55/71/47/571557147.db2.gz CTPFBMUCGTVGCK-YUDQIZAISA-N 1 0 507.744 5.424 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000169784766 571560478 /nfs/dbraw/zinc/56/04/78/571560478.db2.gz SEXXIVHIGBPBEK-KFCPHXPSSA-N 1 0 551.131 5.202 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613404 571561964 /nfs/dbraw/zinc/56/19/64/571561964.db2.gz XVXNJUKXGMYQSQ-DFHRPNOPSA-N 1 0 547.095 6.790 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000198701289 571568555 /nfs/dbraw/zinc/56/85/55/571568555.db2.gz QAKUABRXDRDPFA-OAQYLSRUSA-N 1 0 598.177 6.720 50 0 KKAARO O=C(CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000198757994 571569035 /nfs/dbraw/zinc/56/90/35/571569035.db2.gz JXTUQQVUJURKOB-UHFFFAOYSA-N 1 0 573.736 8.494 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000299756378 572134650 /nfs/dbraw/zinc/13/46/50/572134650.db2.gz HEYCSPJMECKBOS-LMSSTIIKSA-N 1 0 595.710 5.218 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccccc2Cl)CC1 ZINC000299759611 572134864 /nfs/dbraw/zinc/13/48/64/572134864.db2.gz NLPJWDAPDLOKGC-MFMCTBQISA-N 1 0 561.170 5.458 50 0 KKAARO COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000227002372 572146658 /nfs/dbraw/zinc/14/66/58/572146658.db2.gz WMPQAORGZVONAJ-ZGIBFIJWSA-N 1 0 590.518 5.741 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000230002444 572177928 /nfs/dbraw/zinc/17/79/28/572177928.db2.gz KOWNEUAZNSISRI-WWYHPTGPSA-N 1 0 584.672 6.464 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077514 572182837 /nfs/dbraw/zinc/18/28/37/572182837.db2.gz WFEMJSZDVAMTCD-IZLXSDGUSA-N 1 0 519.711 5.983 50 0 KKAARO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@H](c2ccccc2C)C1 ZINC000230155413 572184463 /nfs/dbraw/zinc/18/44/63/572184463.db2.gz BAKHWBNRVAEMGS-ABYGYWHVSA-N 1 0 504.715 7.195 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000240333280 572196489 /nfs/dbraw/zinc/19/64/89/572196489.db2.gz FCSAXGXAJPCRFT-TUSQITKMSA-N 1 0 508.028 5.865 50 0 KKAARO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000245238439 572211859 /nfs/dbraw/zinc/21/18/59/572211859.db2.gz OUNJCHWZWVJYTM-MKJAEOQWSA-N 1 0 548.042 5.102 50 0 KKAARO Cc1cccc(NC(=O)[C@@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280447 572224527 /nfs/dbraw/zinc/22/45/27/572224527.db2.gz QMTCUQUMPWAUCA-GGXMVOPNSA-N 1 0 502.611 5.099 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281321 572225300 /nfs/dbraw/zinc/22/53/00/572225300.db2.gz XFOAKDYXTUUMFD-HOFKKMOUSA-N 1 0 515.595 6.197 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343378 572238555 /nfs/dbraw/zinc/23/85/55/572238555.db2.gz NDXPHCQJFPTDEB-QMFGGXMDSA-N 1 0 527.734 5.257 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489001 572242455 /nfs/dbraw/zinc/24/24/55/572242455.db2.gz LSHYSZGKDSNJPX-QHCPKHFHSA-N 1 0 521.492 5.962 50 0 KKAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467797 572242513 /nfs/dbraw/zinc/24/25/13/572242513.db2.gz DCZVUUBAPVJPPK-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247740881 572244138 /nfs/dbraw/zinc/24/41/38/572244138.db2.gz NTAHKXJNUHUBDJ-VWLOTQADSA-N 1 0 534.635 6.594 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247841017 572246109 /nfs/dbraw/zinc/24/61/09/572246109.db2.gz FLUYFQCDVMSAFA-HSZRJFAPSA-N 1 0 558.524 5.349 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864939 572246781 /nfs/dbraw/zinc/24/67/81/572246781.db2.gz IEMRVUHGKNSWMP-MUUNZHRXSA-N 1 0 551.735 5.271 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868532 572247142 /nfs/dbraw/zinc/24/71/42/572247142.db2.gz PTIBIMXEMKNYEZ-QHCPKHFHSA-N 1 0 596.990 6.606 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871476 572247167 /nfs/dbraw/zinc/24/71/67/572247167.db2.gz DNEXBIXDLRPVID-VWLOTQADSA-N 1 0 558.126 5.307 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873210 572247449 /nfs/dbraw/zinc/24/74/49/572247449.db2.gz RUSNWBKXAORXGO-QFIPXVFZSA-N 1 0 576.514 5.488 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881144 572247947 /nfs/dbraw/zinc/24/79/47/572247947.db2.gz VOISHMBYMGGCSQ-OAQYLSRUSA-N 1 0 627.414 6.656 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886284 572248366 /nfs/dbraw/zinc/24/83/66/572248366.db2.gz XEODKSKSGLSJND-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939354 572249925 /nfs/dbraw/zinc/24/99/25/572249925.db2.gz OYDGXEWGGXGYOI-QFIPXVFZSA-N 1 0 620.979 5.638 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974602 572251137 /nfs/dbraw/zinc/25/11/37/572251137.db2.gz FIKKHZGZLLGDJB-KCWPFWIISA-N 1 0 533.009 7.264 50 0 KKAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984804 572251446 /nfs/dbraw/zinc/25/14/46/572251446.db2.gz ILDHHERDDRHVCO-GDLZYMKVSA-N 1 0 535.736 5.763 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992676 572251660 /nfs/dbraw/zinc/25/16/60/572251660.db2.gz NJPXBWJLONIXDD-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072451 572253102 /nfs/dbraw/zinc/25/31/02/572253102.db2.gz AHHREJGMAWSHLI-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086072 572253254 /nfs/dbraw/zinc/25/32/54/572253254.db2.gz KEFBMZZMVLUURB-QFIPXVFZSA-N 1 0 517.471 5.625 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000248106161 572253822 /nfs/dbraw/zinc/25/38/22/572253822.db2.gz QSZBAPLRLYFOLQ-WVXBCFDCSA-N 1 0 523.702 5.530 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248118030 572254135 /nfs/dbraw/zinc/25/41/35/572254135.db2.gz QLNSDPDISZWENL-XMMPIXPASA-N 1 0 511.645 5.034 50 0 KKAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1C ZINC000248122173 572254229 /nfs/dbraw/zinc/25/42/29/572254229.db2.gz VNIMQRWFVKVZEZ-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000248126347 572254458 /nfs/dbraw/zinc/25/44/58/572254458.db2.gz VARBROKZCAHOAP-WNJJXGMVSA-N 1 0 526.618 7.167 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000248132731 572254775 /nfs/dbraw/zinc/25/47/75/572254775.db2.gz BJBLNPCNODJRDX-JXFTZBDYSA-N 1 0 558.609 6.124 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1C ZINC000248143734 572255394 /nfs/dbraw/zinc/25/53/94/572255394.db2.gz GOJJNHHCEQZABO-HHHXNRCGSA-N 1 0 556.154 5.916 50 0 KKAARO COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000248145131 572255434 /nfs/dbraw/zinc/25/54/34/572255434.db2.gz SDMNBEJABAUBGL-JXFTZBDYSA-N 1 0 570.601 5.406 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@@H](c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000248175804 572256321 /nfs/dbraw/zinc/25/63/21/572256321.db2.gz YZHCZWLUIAZWEZ-FWEHEUNISA-N 1 0 526.023 8.397 50 0 KKAARO CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248195098 572256507 /nfs/dbraw/zinc/25/65/07/572256507.db2.gz ONYGOYDHSJNGAY-MXMCVKMKSA-N 1 0 572.730 7.463 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[C@@H]([NH+]5CCCCC5)C[C@H]43)C2=O)cc1 ZINC000248266788 572257620 /nfs/dbraw/zinc/25/76/20/572257620.db2.gz FHGMGORRSXHTRZ-DILYWTOHSA-N 1 0 579.539 5.414 50 0 KKAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274435 572257709 /nfs/dbraw/zinc/25/77/09/572257709.db2.gz XQGNBFUTMDLDSY-UNMCSNQZSA-N 1 0 517.471 5.877 50 0 KKAARO CCc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923435 572259559 /nfs/dbraw/zinc/25/95/59/572259559.db2.gz BQIOMTNMJQCPGM-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980826 572259663 /nfs/dbraw/zinc/25/96/63/572259663.db2.gz FTFHOBGJZUABPL-VWLOTQADSA-N 1 0 586.578 5.911 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000251999688 572259677 /nfs/dbraw/zinc/25/96/77/572259677.db2.gz LZQIFCGKZBBXAW-HHHXNRCGSA-N 1 0 556.154 5.861 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011713 572259699 /nfs/dbraw/zinc/25/96/99/572259699.db2.gz SKTAGOOLYNIFJI-RUZDIDTESA-N 1 0 586.578 5.911 50 0 KKAARO CCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157699 572259874 /nfs/dbraw/zinc/25/98/74/572259874.db2.gz HLOLQXLYHLEKOA-DEOSSOPVSA-N 1 0 501.074 6.541 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023301 572259911 /nfs/dbraw/zinc/25/99/11/572259911.db2.gz ZTJFTHYDMANINC-RUZDIDTESA-N 1 0 586.578 5.911 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586367 572265317 /nfs/dbraw/zinc/26/53/17/572265317.db2.gz PKPVAUJGGSQOMJ-QGTBSMAUSA-N 1 0 625.597 5.054 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252586548 572265471 /nfs/dbraw/zinc/26/54/71/572265471.db2.gz QTBOIOVFPCNPIH-GARWBGNXSA-N 1 0 617.206 5.021 50 0 KKAARO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000253374276 572282286 /nfs/dbraw/zinc/28/22/86/572282286.db2.gz LUQQPNLBSSZAGB-QDPGVEIFSA-N 1 0 501.696 5.076 50 0 KKAARO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607650 572301061 /nfs/dbraw/zinc/30/10/61/572301061.db2.gz PJDAZNDJWUZZFV-JOCHJYFZSA-N 1 0 531.498 6.762 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615525 572301334 /nfs/dbraw/zinc/30/13/34/572301334.db2.gz LWTSUQWMURCHJI-NRFANRHFSA-N 1 0 655.424 6.291 50 0 KKAARO CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257349049 572321508 /nfs/dbraw/zinc/32/15/08/572321508.db2.gz LDLFMTWFFWGZLY-KCODAVIQSA-N 1 0 511.835 8.424 50 0 KKAARO CCCC[C@H]1Oc2ccccc2[C@H]1C(=O)c1ccc(OCC[NH+](CC)CC)c(I)c1 ZINC000514268739 1069726275 /nfs/dbraw/zinc/72/62/75/1069726275.db2.gz GXGVTWJXMNXSIR-DNQXCXABSA-N 1 0 521.439 5.930 50 0 KKAARO O=C(CCN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000022456093 1069790919 /nfs/dbraw/zinc/79/09/19/1069790919.db2.gz TUDAENIXOMNDCP-UHFFFAOYSA-N 1 0 508.131 6.302 50 0 KKAARO CCCCOc1ccc([C@@](C)(O)[C@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733278 1069838696 /nfs/dbraw/zinc/83/86/96/1069838696.db2.gz CVOFXQLONKMARN-BVRKHOPBSA-N 1 0 507.118 6.641 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 ZINC000524733159 1069838843 /nfs/dbraw/zinc/83/88/43/1069838843.db2.gz ZYVRMBMEFVKOIS-XXKIVBBDSA-N 1 0 562.798 7.519 50 0 KKAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(Cc3cccc(Cl)c3)C2)c(C)c1C ZINC000102142112 1069844336 /nfs/dbraw/zinc/84/43/36/1069844336.db2.gz FFSOHYUDYWJJAX-WDYNHAJCSA-N 1 0 578.153 5.300 50 0 KKAARO CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000248270230 1069850820 /nfs/dbraw/zinc/85/08/20/1069850820.db2.gz PVORPPZFOCAFCM-RQJGXFNESA-N 1 0 511.021 6.054 50 0 KKAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CN1CC(c1ccccc1)c1ccccc1 ZINC000102712039 1069865567 /nfs/dbraw/zinc/86/55/67/1069865567.db2.gz MZTXJQAPIUTVMR-NDKRRWIDSA-N 1 0 519.689 5.376 50 0 KKAARO C/C(=C\c1ccccc1)C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000023362459 1070058261 /nfs/dbraw/zinc/05/82/61/1070058261.db2.gz YUEVFWUZLYBUNM-ZTHBLQDVSA-N 1 0 532.084 5.064 50 0 KKAARO CC[n+]1c(/C=C2/C=C(/C=C3\C=Cc4cc(OC)ccc4N3CC)CC(C)(C)C2)sc2ccc(OC)cc21 ZINC000685944382 1070940589 /nfs/dbraw/zinc/94/05/89/1070940589.db2.gz GGKBMHAVLKRUIW-UHFFFAOYSA-N 1 0 513.727 7.793 50 0 KKAARO CCN1c2cc(C(=O)OC)ccc2S/C1=C\C=C1\CCCC(/C=C/c2sc3ccc(C(=O)OC)cc3[n+]2CC)=C1C ZINC000685944604 1070944311 /nfs/dbraw/zinc/94/43/11/1070944311.db2.gz POSAMXGIMPFTSU-UHFFFAOYSA-N 1 0 587.787 7.696 50 0 KKAARO CCN1c2ccccc2S/C1=C\C=C1\CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1OCCO ZINC000685944315 1070941071 /nfs/dbraw/zinc/94/10/71/1070941071.db2.gz CRJWPJQSFOLXEJ-UHFFFAOYSA-N 1 0 517.740 7.069 50 0 KKAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647607 1070952375 /nfs/dbraw/zinc/95/23/75/1070952375.db2.gz RHNIPZDOWWMUPQ-GGXMVOPNSA-N 1 0 546.708 5.531 50 0 KKAARO COc1ccc2c(c1)c(CN1CCC[N@H+](Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC1)cn2C(C)C ZINC000257185369 1070975115 /nfs/dbraw/zinc/97/51/15/1070975115.db2.gz JLRDAZWGFOEQRU-YTTGMZPUSA-N 1 0 539.724 5.581 50 0 KKAARO CCOC(=O)[C@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000299758766 1071047973 /nfs/dbraw/zinc/04/79/73/1071047973.db2.gz MZNSWQZUIHPKFS-IBGZPJMESA-N 1 0 531.575 5.340 50 0 KKAARO CN(CC[N@H+](C)Cc1cn([C@H]2CCCCO2)nc1-c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1)C(=O)OC(C)(C)C ZINC000575442443 1071141414 /nfs/dbraw/zinc/14/14/14/1071141414.db2.gz OSBKEDOAZUPHOL-XWHIBYANSA-N 1 0 604.792 6.675 50 0 KKAARO COc1ccccc1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccc4ccccc43)c2)CC1 ZINC000011783287 1071231562 /nfs/dbraw/zinc/23/15/62/1071231562.db2.gz FWCZNRFEUSRUHH-UHFFFAOYSA-N 1 0 523.677 5.317 50 0 KKAARO Cc1ccsc1C(=O)N1CCCC[C@@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000012037581 1071234371 /nfs/dbraw/zinc/23/43/71/1071234371.db2.gz NDAZPQIMUQCNNS-HHHXNRCGSA-N 1 0 513.707 6.701 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190723 1071238641 /nfs/dbraw/zinc/23/86/41/1071238641.db2.gz UOGPRVMGHIXUAH-IDRNJTBQSA-N 1 0 523.652 6.337 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1)Cc1cccc2cccnc21 ZINC000012053114 1071236964 /nfs/dbraw/zinc/23/69/64/1071236964.db2.gz IYINNTBICUZMEA-SSEXGKCCSA-N 1 0 525.668 6.399 50 0 KKAARO CC(C)(C)C(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256347 1071277867 /nfs/dbraw/zinc/27/78/67/1071277867.db2.gz HVTIDZXHEITRRQ-UHFFFAOYSA-N 1 0 590.090 6.040 50 0 KKAARO S=C(Nc1ccccc1Cl)C1=C([NH+]2CCCCC2)/C(=C/c2cccc(Oc3ccccc3)c2)CC1 ZINC000102928633 1071306373 /nfs/dbraw/zinc/30/63/73/1071306373.db2.gz QWBPSVKOEFHCGN-ATJXCDBQSA-N 1 0 501.095 8.489 50 0 KKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccccc2)C3)C1 ZINC000014882901 1072893057 /nfs/dbraw/zinc/89/30/57/1072893057.db2.gz ZIFXLUFTCVJGSM-HSZRJFAPSA-N 1 0 505.058 5.691 50 0 KKAARO Cc1nc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990420 1072894507 /nfs/dbraw/zinc/89/45/07/1072894507.db2.gz RLBMLHWQAYNIRC-AREMUKBSSA-N 1 0 514.695 6.096 50 0 KKAARO O=C(c1cccnc1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055358118 1072899785 /nfs/dbraw/zinc/89/97/85/1072899785.db2.gz OEBBCWQPMGYDRC-HHHXNRCGSA-N 1 0 519.089 5.521 50 0 KKAARO O=C(c1ccoc1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055227066 1072899971 /nfs/dbraw/zinc/89/99/71/1072899971.db2.gz SJXUKKKNTMTKBZ-AREMUKBSSA-N 1 0 508.062 5.719 50 0 KKAARO CCOC(=O)c1ccccc1OCc1cc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)ccc1OC ZINC000001322335 551642110 /nfs/dbraw/zinc/64/21/10/551642110.db2.gz PCTRPPBDUIJHMN-XIFFEERXSA-N 1 0 562.666 6.746 50 0 biogenic KKAARO C[NH+](C)CCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000001874485 551721281 /nfs/dbraw/zinc/72/12/81/551721281.db2.gz MWYIXQAUBRUZSA-OOAXWGSJSA-N 1 0 572.507 5.141 50 0 KKAARO CC(C)(C)c1cc(C[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2CCCCC2)cc(C(C)(C)C)c1O ZINC000002023774 551736437 /nfs/dbraw/zinc/73/64/37/551736437.db2.gz MINYVFNOQBOOID-UHFFFAOYSA-N 1 0 535.857 9.623 50 0 KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002095994 551761629 /nfs/dbraw/zinc/76/16/29/551761629.db2.gz DCXUYMDRJXRAMH-BHBYDHKZSA-N 1 0 500.687 5.145 50 0 biogenic KKAARO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1F)N1NC=NC1=N2 ZINC000002246500 551799838 /nfs/dbraw/zinc/79/98/38/551799838.db2.gz AHHAEFZVLADZFX-DNQXCXABSA-N 1 0 505.347 5.401 50 0 KKAARO CC[NH+](CC)CCNc1nc(SCc2ccccc2)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000002264875 551804544 /nfs/dbraw/zinc/80/45/44/551804544.db2.gz CUHNEWZTDYOZBW-UHFFFAOYSA-N 1 0 539.774 7.441 50 0 KKAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002428186 552117176 /nfs/dbraw/zinc/11/71/76/552117176.db2.gz FNIRWKIAUHOBTH-AREMUKBSSA-N 1 0 518.997 5.141 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C(C)\C=C\c1sc2cc(SC)c(OC)cc2[n+]1CC ZINC000002512448 552126804 /nfs/dbraw/zinc/12/68/04/552126804.db2.gz DHOFMOCLVGECRN-UHFFFAOYSA-N 1 0 557.852 8.103 50 0 KKAARO COc1cc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654160 552148036 /nfs/dbraw/zinc/14/80/36/552148036.db2.gz YKDGTSAUMCIKQF-AYWVHJORSA-N 1 0 563.019 8.252 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3c(F)cccc3Cl)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034069 552268530 /nfs/dbraw/zinc/26/85/30/552268530.db2.gz SKSZVFMLHFEOGY-UHFFFAOYSA-N 1 0 535.135 6.405 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)ccc3Sc3ccccc3C2=O)c1 ZINC000003047433 552276162 /nfs/dbraw/zinc/27/61/62/552276162.db2.gz CQXZTYPCFQXTCM-DEOSSOPVSA-N 1 0 527.734 6.609 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)Cc1ccccc1 ZINC000003055302 552280330 /nfs/dbraw/zinc/28/03/30/552280330.db2.gz WRZWNTPJXRNGLO-TURZUDJPSA-N 1 0 534.125 6.237 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@@H+](C)CCc4ccccc4)cc3)C2=O)cc1 ZINC000003057723 552281169 /nfs/dbraw/zinc/28/11/69/552281169.db2.gz NOVNXTKJTCKWOM-IWBSIUBASA-N 1 0 545.683 5.866 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061266 552282156 /nfs/dbraw/zinc/28/21/56/552282156.db2.gz BMCUGNZIUMPPFF-GZZLJNBRSA-N 1 0 561.751 6.927 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)C1=O ZINC000003063649 552284086 /nfs/dbraw/zinc/28/40/86/552284086.db2.gz YDGPNNZCVBQBDL-AWSUPERCSA-N 1 0 553.772 7.059 50 0 KKAARO CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC000003064337 552284452 /nfs/dbraw/zinc/28/44/52/552284452.db2.gz WFWDMEBQFJJIFG-OVVQPSECSA-N 1 0 518.082 5.628 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCCCC1 ZINC000003128828 552291887 /nfs/dbraw/zinc/29/18/87/552291887.db2.gz RQOAWGLSQZGJIY-MRXNPFEDSA-N 1 0 559.140 6.319 50 0 KKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 ZINC000003215742 552307356 /nfs/dbraw/zinc/30/73/56/552307356.db2.gz HDKQZEYPCUHJCU-UHFFFAOYSA-N 1 0 510.063 5.373 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000003268717 552331099 /nfs/dbraw/zinc/33/10/99/552331099.db2.gz DEZKKHQYVLMBTL-OAQYLSRUSA-N 1 0 543.303 5.503 50 0 KKAARO CCOC(=O)c1c(NC(=O)COc2ccc3oc4ccccc4c3c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003292028 552341014 /nfs/dbraw/zinc/34/10/14/552341014.db2.gz FSROWYVOSDVHMQ-UHFFFAOYSA-N 1 0 506.624 6.001 50 0 KKAARO COc1ccc(NC(=O)COc2ccc([C@H]3[NH2+]C[C@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410209 552381879 /nfs/dbraw/zinc/38/18/79/552381879.db2.gz DQJZKQXBCINRDZ-GPNASLBKSA-N 1 0 568.073 6.681 50 0 KKAARO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1Cl ZINC000003418979 552383396 /nfs/dbraw/zinc/38/33/96/552383396.db2.gz WBPKHBXLHPYZRJ-JOCHJYFZSA-N 1 0 501.483 6.515 50 0 KKAARO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000004098256 552436466 /nfs/dbraw/zinc/43/64/66/552436466.db2.gz ZCTJIMXXSXQXRI-KYJUHHDHSA-N 1 0 696.841 7.063 50 0 biogenic,in-vitro KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000004761948 552478327 /nfs/dbraw/zinc/47/83/27/552478327.db2.gz UYHIWZFUPPULIK-HHHXNRCGSA-N 1 0 598.119 5.161 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762059 552478536 /nfs/dbraw/zinc/47/85/36/552478536.db2.gz OFRZSAGGHVLRCB-GDLZYMKVSA-N 1 0 636.218 5.291 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762052 552478600 /nfs/dbraw/zinc/47/86/00/552478600.db2.gz FSYBTXGFCLGCMS-GDLZYMKVSA-N 1 0 606.192 5.282 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762112 552478834 /nfs/dbraw/zinc/47/88/34/552478834.db2.gz YADHUAZPLUVBDM-PMERELPUSA-N 1 0 620.219 5.672 50 0 KKAARO COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762179 552479086 /nfs/dbraw/zinc/47/90/86/552479086.db2.gz FYYFJYDKQUSHIG-NDEPHWFRSA-N 1 0 610.155 5.031 50 0 KKAARO Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000004788055 552482581 /nfs/dbraw/zinc/48/25/81/552482581.db2.gz JBYFYWZKBBYUFY-UHFFFAOYSA-N 1 0 591.200 5.480 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc21 ZINC000005946936 552515530 /nfs/dbraw/zinc/51/55/30/552515530.db2.gz SPVVMGWKAXMWAM-PXUDHTSWSA-N 1 0 506.909 7.265 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166773 552556629 /nfs/dbraw/zinc/55/66/29/552556629.db2.gz GIQLPRHZIZKUSQ-UHFFFAOYSA-N 1 0 623.712 9.198 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000006166807 552556921 /nfs/dbraw/zinc/55/69/21/552556921.db2.gz PLGIXDDDQWPMHK-UHFFFAOYSA-N 1 0 620.039 8.730 50 0 KKAARO CCOC(=O)c1cc(NCC[N@H+](C)C[C@@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385951 552991596 /nfs/dbraw/zinc/99/15/96/552991596.db2.gz QHQIPBAICBCAPN-RUZDIDTESA-N 1 0 580.943 8.031 50 0 KKAARO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008399010 553000327 /nfs/dbraw/zinc/00/03/27/553000327.db2.gz NGYMIVILOPOFDQ-UHFFFAOYSA-N 1 0 545.605 5.849 50 0 KKAARO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444823 553052055 /nfs/dbraw/zinc/05/20/55/553052055.db2.gz PDXWEDPGKPWEPA-VIVKUPLDSA-N 1 0 592.504 6.033 50 0 KKAARO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454505 553069051 /nfs/dbraw/zinc/06/90/51/553069051.db2.gz JKNQCGJELBTSRO-UHFFFAOYSA-N 1 0 515.605 5.203 50 0 KKAARO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)c3n2)cc1 ZINC000008454578 553069426 /nfs/dbraw/zinc/06/94/26/553069426.db2.gz DZKZQCXTHORCFT-UHFFFAOYSA-N 1 0 505.613 5.225 50 0 KKAARO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454576 553069439 /nfs/dbraw/zinc/06/94/39/553069439.db2.gz FFKCDBDXHGVPGQ-ZLBKBPMGSA-N 1 0 626.949 6.686 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000008596315 553089950 /nfs/dbraw/zinc/08/99/50/553089950.db2.gz UUGKEPVILHICLL-UHFFFAOYSA-N 1 0 589.756 5.810 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008597420 553093078 /nfs/dbraw/zinc/09/30/78/553093078.db2.gz DIIAZPUVHOTXPI-SANMLTNESA-N 1 0 559.732 5.373 50 0 KKAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717725 553129172 /nfs/dbraw/zinc/12/91/72/553129172.db2.gz YJPOVLRMTGZEIO-SANMLTNESA-N 1 0 502.456 6.293 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000008749382 553134860 /nfs/dbraw/zinc/13/48/60/553134860.db2.gz WSBIQQVSWDVMMP-CYEXUTLASA-N 1 0 604.839 7.663 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000008749387 553134890 /nfs/dbraw/zinc/13/48/90/553134890.db2.gz XVZJUSYOQZVBQP-KRFRYGLGSA-N 1 0 620.882 7.184 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1)Cc1ccccc1 ZINC000008811904 553149266 /nfs/dbraw/zinc/14/92/66/553149266.db2.gz GUCZZAXWKIQGEI-UHFFFAOYSA-N 1 0 503.712 6.527 50 0 KKAARO Cc1cc(C)cc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c1 ZINC000008814230 553151321 /nfs/dbraw/zinc/15/13/21/553151321.db2.gz JGGDFVZQDKGFLO-UHFFFAOYSA-N 1 0 528.100 6.191 50 0 KKAARO O=C(CC[NH+]1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000008835992 553162922 /nfs/dbraw/zinc/16/29/22/553162922.db2.gz CRVILOUWJYKQCE-QFIPXVFZSA-N 1 0 519.281 5.765 50 0 KKAARO O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008869898 553171463 /nfs/dbraw/zinc/17/14/63/553171463.db2.gz PKWZTGLWJVJVEL-UHFFFAOYSA-N 1 0 517.677 5.790 50 0 KKAARO CCCCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)cc1 ZINC000008878376 553175498 /nfs/dbraw/zinc/17/54/98/553175498.db2.gz LCNHHHNXAPAVOP-QFIPXVFZSA-N 1 0 503.687 6.481 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCCCCC4)CC3)nc2cc1Br ZINC000008911686 553184199 /nfs/dbraw/zinc/18/41/99/553184199.db2.gz KKBQBTUOAMDIFW-UHFFFAOYSA-N 1 0 523.541 5.056 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911789 553184484 /nfs/dbraw/zinc/18/44/84/553184484.db2.gz JVGPKSVIOHVYEL-UHFFFAOYSA-N 1 0 501.700 5.542 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227750 553222397 /nfs/dbraw/zinc/22/23/97/553222397.db2.gz ABGHVPSECKVUIQ-OAQYLSRUSA-N 1 0 539.696 5.120 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009432881 553262940 /nfs/dbraw/zinc/26/29/40/553262940.db2.gz CAUBVGXGZPIDAI-VSGBNLITSA-N 1 0 519.711 5.092 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009433225 553263088 /nfs/dbraw/zinc/26/30/88/553263088.db2.gz YDXBHKORPNXBLF-WUFINQPMSA-N 1 0 501.696 5.249 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000009462933 553268669 /nfs/dbraw/zinc/26/86/69/553268669.db2.gz GOPMRNOOTMRKNG-VWLOTQADSA-N 1 0 508.449 6.538 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009496756 553274580 /nfs/dbraw/zinc/27/45/80/553274580.db2.gz ITEPLFRUJBXLTA-FQEVSTJZSA-N 1 0 506.391 5.796 50 0 KKAARO Cc1ccc(-n2nc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682142 553297188 /nfs/dbraw/zinc/29/71/88/553297188.db2.gz CUANAFDDOUZWTJ-UHFFFAOYSA-N 1 0 533.676 5.136 50 0 KKAARO CCN(CCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1cccc(C)c1 ZINC000009693914 553299292 /nfs/dbraw/zinc/29/92/92/553299292.db2.gz UWBFYMYWGWYBCZ-UHFFFAOYSA-N 1 0 509.094 5.857 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000010059899 553327507 /nfs/dbraw/zinc/32/75/07/553327507.db2.gz OVNHBUCMLXIRQP-FMIVXFBMSA-N 1 0 508.018 5.489 50 0 KKAARO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000011783882 553342427 /nfs/dbraw/zinc/34/24/27/553342427.db2.gz PRZROZITEDRMAR-AMGIVPHBSA-N 1 0 521.706 5.166 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000011814514 553343521 /nfs/dbraw/zinc/34/35/21/553343521.db2.gz HSWPBJYYZORMMI-UHFFFAOYSA-N 1 0 505.709 5.432 50 0 KKAARO COc1ccccc1CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000011910096 553348831 /nfs/dbraw/zinc/34/88/31/553348831.db2.gz AZIXVFZWCNGRIN-QFIPXVFZSA-N 1 0 516.638 5.061 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191590 553353604 /nfs/dbraw/zinc/35/36/04/553353604.db2.gz NETWJYZJFALTNH-AREMUKBSSA-N 1 0 535.754 5.262 50 0 KKAARO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1 ZINC000012461956 553367107 /nfs/dbraw/zinc/36/71/07/553367107.db2.gz QYXDJGTURCUABR-UHFFFAOYSA-N 1 0 523.603 5.450 50 0 KKAARO Cc1ccc(N2CCN(C(=O)COc3ccc(-c4nc5ccccc5s4)cc3C[NH+](C)C)CC2)c(C)c1 ZINC000012572103 553398288 /nfs/dbraw/zinc/39/82/88/553398288.db2.gz VJUBHDCXWGLRNR-UHFFFAOYSA-N 1 0 514.695 5.369 50 0 KKAARO CC1(C)[C@@H]2CC[C@]3(C)[C@@H](C=CC4=C5C[C@](C)(C(=O)OCC[NH3+])CC(=O)[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012653410 553410110 /nfs/dbraw/zinc/41/01/10/553410110.db2.gz DOKJVTCSBRXQNS-CWOZHSRESA-N 1 0 511.747 5.750 50 0 biogenic KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000012876659 553424716 /nfs/dbraw/zinc/42/47/16/553424716.db2.gz KLOLLLOGPLUZFU-UHFFFAOYSA-N 1 0 504.590 5.506 50 0 biogenic KKAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014746273 553520049 /nfs/dbraw/zinc/52/00/49/553520049.db2.gz ZDDMXQBVOUJZFN-BJKOFHAPSA-N 1 0 512.572 5.287 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996715 553524580 /nfs/dbraw/zinc/52/45/80/553524580.db2.gz OWTZSHGYDZQOGR-JOCHJYFZSA-N 1 0 508.659 5.547 50 0 KKAARO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000014998720 553524590 /nfs/dbraw/zinc/52/45/90/553524590.db2.gz AWUMHVHXXLFJGT-FQEVSTJZSA-N 1 0 507.556 6.083 50 0 KKAARO O=C(c1cc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305595 553531370 /nfs/dbraw/zinc/53/13/70/553531370.db2.gz OWUINTCBNUFMTE-LHHITDRRSA-N 1 0 521.709 5.756 50 0 KKAARO O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319046 553531470 /nfs/dbraw/zinc/53/14/70/553531470.db2.gz AJIOITYREKUSHL-RULLOFLBSA-N 1 0 531.598 5.409 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(Cl)c2n1 ZINC000015319142 553531504 /nfs/dbraw/zinc/53/15/04/553531504.db2.gz YQUBJXHYUXOILP-QAPCUYQASA-N 1 0 522.955 5.498 50 0 KKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946072 553544388 /nfs/dbraw/zinc/54/43/88/553544388.db2.gz CYMYDNYYVCRHQS-QHCPKHFHSA-N 1 0 517.739 6.539 50 0 KKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946557 553544711 /nfs/dbraw/zinc/54/47/11/553544711.db2.gz KTRMCPBIXAXWMC-QFIPXVFZSA-N 1 0 503.712 6.497 50 0 KKAARO COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1Br ZINC000015947054 553545149 /nfs/dbraw/zinc/54/51/49/553545149.db2.gz ZJDYYQJUHVAQKM-QGZVFWFLSA-N 1 0 515.271 5.477 50 0 KKAARO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016712792 553575020 /nfs/dbraw/zinc/57/50/20/553575020.db2.gz BZSPKOHOUXTRGN-UHFFFAOYSA-N 1 0 513.567 6.429 50 0 KKAARO Cc1ccc(NC(=O)c2ccc(CN3CC[C@H]([NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1ncc(-c2cncnc2)cn1 ZINC000070471841 553594442 /nfs/dbraw/zinc/59/44/42/553594442.db2.gz ZOPBZHLJXQAQON-VWLOTQADSA-N 1 0 576.627 5.393 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070664526 553594671 /nfs/dbraw/zinc/59/46/71/553594671.db2.gz QDRWJGGEHHAYQU-KJTLAYEDSA-N 1 0 523.714 5.344 50 0 biogenic KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000020155489 553599489 /nfs/dbraw/zinc/59/94/89/553599489.db2.gz GGWTWTKBWQQGBO-KEPSJGTLSA-N 1 0 533.713 5.092 50 0 KKAARO CCCC1=Nc2cc(C(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)ccc2Sc2ccccc21 ZINC000020179016 553602780 /nfs/dbraw/zinc/60/27/80/553602780.db2.gz WHBYWBWQFMWUFO-UHFFFAOYSA-N 1 0 504.744 6.142 50 0 KKAARO FC(F)(F)c1ccc2c(c1)N(CCCN1CC[NH+](C34CC5CC(CC(C5)C3)C4)CC1)c1ccccc1S2 ZINC000019637785 553614850 /nfs/dbraw/zinc/61/48/50/553614850.db2.gz ZFDPLDFIFSHGBZ-UHFFFAOYSA-N 1 0 527.700 7.285 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000020242831 553628099 /nfs/dbraw/zinc/62/80/99/553628099.db2.gz MUJWCGZEJNELMR-LHEWISCISA-N 1 0 529.706 5.398 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000020355187 553640787 /nfs/dbraw/zinc/64/07/87/553640787.db2.gz AEWNPPTVLIFGOE-UCTFJTRWSA-N 1 0 509.650 5.566 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000020355313 553641085 /nfs/dbraw/zinc/64/10/85/553641085.db2.gz OQLSSIZQAWZVQM-AWSUPERCSA-N 1 0 535.688 6.052 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000072177063 553645566 /nfs/dbraw/zinc/64/55/66/553645566.db2.gz JVAQZMVDSSVXGG-JJDPYXMGSA-N 1 0 564.151 6.052 50 0 KKAARO O=c1cc(CSc2ccc(Cl)cc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019943524 553646219 /nfs/dbraw/zinc/64/62/19/553646219.db2.gz KPYVIPRSYTUYED-UHFFFAOYSA-N 1 0 503.071 5.627 50 0 KKAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000020479088 553657404 /nfs/dbraw/zinc/65/74/04/553657404.db2.gz OGCOETVATUAWAR-UHFFFAOYSA-N 1 0 515.521 5.098 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)occ3-c1ccc(F)cc1 ZINC000079188485 553666699 /nfs/dbraw/zinc/66/66/99/553666699.db2.gz NKGBULQLZAQTFL-RXFWQSSRSA-N 1 0 502.586 5.577 50 0 biogenic KKAARO CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020519295 553669108 /nfs/dbraw/zinc/66/91/08/553669108.db2.gz JJVPJOFCFPUNAF-UHFFFAOYSA-N 1 0 501.678 6.487 50 0 KKAARO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc1C[C@@H]3N(C)CC2 ZINC000079228534 553672569 /nfs/dbraw/zinc/67/25/69/553672569.db2.gz DRACRVAKPKYPSB-WDYNHAJCSA-N 1 0 682.814 6.760 50 0 biogenic KKAARO Cn1cc(C2(c3cn(C)c4ccccc34)CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)c2ccccc21 ZINC000085392900 553679102 /nfs/dbraw/zinc/67/91/02/553679102.db2.gz PKSOSWZRWRSKGZ-SANMLTNESA-N 1 0 502.706 6.578 50 0 KKAARO Cn1cc(C2(c3cn(C)c4ccccc34)CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)c2ccccc21 ZINC000085392904 553679167 /nfs/dbraw/zinc/67/91/67/553679167.db2.gz PKSOSWZRWRSKGZ-AREMUKBSSA-N 1 0 502.706 6.578 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732221 553692223 /nfs/dbraw/zinc/69/22/23/553692223.db2.gz UKQBCVZZAFLBIC-TZGBDOIBSA-N 1 0 537.704 6.346 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000020733210 553693017 /nfs/dbraw/zinc/69/30/17/553693017.db2.gz KGMCMKKNRZJCIB-UHFFFAOYSA-N 1 0 537.217 7.660 50 0 KKAARO CC[NH+](CC)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020116187 553697525 /nfs/dbraw/zinc/69/75/25/553697525.db2.gz STDJGTNUOOYFHF-WHZFHMEASA-N 1 0 540.752 5.435 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000021161377 553708131 /nfs/dbraw/zinc/70/81/31/553708131.db2.gz SCWTYNCFUUQFSR-KERYWQKISA-N 1 0 512.764 5.514 50 0 KKAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000021162577 553708605 /nfs/dbraw/zinc/70/86/05/553708605.db2.gz DLCTVRBZFJIDKH-VWLOTQADSA-N 1 0 501.719 5.299 50 0 KKAARO Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000021162742 553708920 /nfs/dbraw/zinc/70/89/20/553708920.db2.gz LBYBNOZRJFENIA-UHFFFAOYSA-N 1 0 521.709 5.390 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+](CC(C)C)CC(C)C)CC1 ZINC000021163026 553709140 /nfs/dbraw/zinc/70/91/40/553709140.db2.gz KCYMPOIAGLKPNB-UHFFFAOYSA-N 1 0 503.735 5.340 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCC[NH+]1C[C@@H](C)C[C@H](C)C1)C3=O ZINC000021522726 553710160 /nfs/dbraw/zinc/71/01/60/553710160.db2.gz FRSNJQLLJBIKCD-WDCWYOMISA-N 1 0 522.734 5.071 50 0 KKAARO COc1cc(C(=O)OCCN2CC[NH+](CC/C=C3\c4ccccc4CSc4ccccc43)CC2)cc(OC)c1OC ZINC000095842774 553713906 /nfs/dbraw/zinc/71/39/06/553713906.db2.gz APQITQRAFUZEHH-KKMKTNMSSA-N 1 0 574.743 5.615 50 0 KKAARO CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000096022169 553719925 /nfs/dbraw/zinc/71/99/25/553719925.db2.gz KBZNZGGCUNAZSV-UHFFFAOYSA-N 1 0 603.792 7.402 50 0 KKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189813 553727196 /nfs/dbraw/zinc/72/71/96/553727196.db2.gz ZBOLDFALAJJQAG-UCGGBYDDSA-N 1 0 510.081 6.216 50 0 KKAARO Cc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000096281836 553737424 /nfs/dbraw/zinc/73/74/24/553737424.db2.gz ZEUJSHGJSGQKQF-UHFFFAOYSA-N 1 0 518.583 6.791 50 0 KKAARO CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(Cc2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000096281839 553737455 /nfs/dbraw/zinc/73/74/55/553737455.db2.gz NXUSDVCETVKKEV-UHFFFAOYSA-N 1 0 500.540 6.221 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287493 553738652 /nfs/dbraw/zinc/73/86/52/553738652.db2.gz FVYNGXFVSUGXSX-FUFSCUOVSA-N 1 0 531.691 7.117 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000022873011 553766077 /nfs/dbraw/zinc/76/60/77/553766077.db2.gz GYKYPNVEZQFHKU-ZORMNXRFSA-N 1 0 519.645 5.071 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000022873015 553766240 /nfs/dbraw/zinc/76/62/40/553766240.db2.gz GYKYPNVEZQFHKU-CMVGPNDKSA-N 1 0 519.645 5.071 50 0 KKAARO O[C@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022924966 553767133 /nfs/dbraw/zinc/76/71/33/553767133.db2.gz FQNIZHZPCDPSFY-PMERELPUSA-N 1 0 501.674 6.154 50 0 KKAARO CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000097941657 553767275 /nfs/dbraw/zinc/76/72/75/553767275.db2.gz CSLOLDNRVXHYEO-HXUWFJFHSA-N 1 0 555.517 5.719 50 0 KKAARO CC[NH+]1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000022947463 553768416 /nfs/dbraw/zinc/76/84/16/553768416.db2.gz SDTMUAXNMBDCMA-XHLNEMQHSA-N 1 0 561.151 5.387 50 0 KKAARO Cc1ccc(NC(=O)c2ccc(CN3CC[C@H]([NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000022940637 553768514 /nfs/dbraw/zinc/76/85/14/553768514.db2.gz ZGBAJMQHJDFTQJ-DEOSSOPVSA-N 1 0 576.627 5.393 50 0 investigational KKAARO CCCCCCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023333989 553773591 /nfs/dbraw/zinc/77/35/91/553773591.db2.gz GKPKCKXJBWIZBW-UHFFFAOYSA-N 1 0 500.609 6.460 50 0 KKAARO C[C@H](CC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)CC(C)(C)C ZINC000023429483 553775649 /nfs/dbraw/zinc/77/56/49/553775649.db2.gz UJEXKWLGBGQBFD-OAQYLSRUSA-N 1 0 528.663 6.952 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1ccccc1F ZINC000025142709 553793694 /nfs/dbraw/zinc/79/36/94/553793694.db2.gz QKGVQBYGZVDALF-UHFFFAOYSA-N 1 0 510.535 5.943 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COCc1ccccc1)[C@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000025153817 553797667 /nfs/dbraw/zinc/79/76/67/553797667.db2.gz CBBMTTKDQQBGAN-YTTGMZPUSA-N 1 0 527.665 5.198 50 0 KKAARO Cc1cccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)c1 ZINC000097949331 553801465 /nfs/dbraw/zinc/80/14/65/553801465.db2.gz XKEPNIAQVZPHRY-UHFFFAOYSA-N 1 0 544.537 6.699 50 0 KKAARO Brc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000097949674 553802767 /nfs/dbraw/zinc/80/27/67/553802767.db2.gz IBPZSQBPLLJRCU-UHFFFAOYSA-N 1 0 535.489 6.971 50 0 KKAARO O=C(Nc1cccc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462508 553809441 /nfs/dbraw/zinc/80/94/41/553809441.db2.gz WNWZXPIYKLTWKS-UFHPHHKVSA-N 1 0 512.440 7.552 50 0 KKAARO Brc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000097951558 553809664 /nfs/dbraw/zinc/80/96/64/553809664.db2.gz IHGJZNMYUSHNPN-GDLZYMKVSA-N 1 0 538.489 7.138 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956779 553841779 /nfs/dbraw/zinc/84/17/79/553841779.db2.gz QUEXHOQOACIPAS-KRWDZBQOSA-N 1 0 525.310 6.019 50 0 KKAARO COc1ccc(CC[NH2+]C[C@H](O)Cn2c3c(cc(C)cc3C)c(-c3ccccc3)c2-c2ccccc2)cc1OC ZINC000028296690 553841776 /nfs/dbraw/zinc/84/17/76/553841776.db2.gz AYYFXLWSBDCOTB-LJAQVGFWSA-N 1 0 534.700 6.803 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(F)cc1 ZINC000032929404 553876464 /nfs/dbraw/zinc/87/64/64/553876464.db2.gz RDORFIQGMYDOHZ-UHFFFAOYSA-N 1 0 521.684 6.925 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963594 553892197 /nfs/dbraw/zinc/89/21/97/553892197.db2.gz UBPQUJGUFJFJTN-UHFFFAOYSA-N 1 0 555.722 5.162 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252319 553913887 /nfs/dbraw/zinc/91/38/87/553913887.db2.gz WMGCXBUJQREFMR-UHFFFAOYSA-N 1 0 506.075 5.251 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000033357136 553946741 /nfs/dbraw/zinc/94/67/41/553946741.db2.gz VYAIZNJTTDNSQW-HHHXNRCGSA-N 1 0 614.574 5.676 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000033633941 553965501 /nfs/dbraw/zinc/96/55/01/553965501.db2.gz SWRQOJMJJGLIMD-RQLJPHHTSA-N 1 0 516.497 7.735 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671709 553982457 /nfs/dbraw/zinc/98/24/57/553982457.db2.gz UABWLVIVSKWJTJ-LQJZCPKCSA-N 1 0 522.664 6.756 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671611 553982467 /nfs/dbraw/zinc/98/24/67/553982467.db2.gz AXSHSLGNMFARCU-LQJZCPKCSA-N 1 0 519.689 6.054 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000034671853 553982445 /nfs/dbraw/zinc/98/24/45/553982445.db2.gz JGCONOBZURGCRR-NRUKRWIHSA-N 1 0 508.637 6.366 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671624 553982623 /nfs/dbraw/zinc/98/26/23/553982623.db2.gz AXSHSLGNMFARCU-CZNDPXEESA-N 1 0 519.689 6.054 50 0 KKAARO COc1cccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)c1OC ZINC000034681954 553985454 /nfs/dbraw/zinc/98/54/54/553985454.db2.gz JYHHHQNRPWCBES-UHFFFAOYSA-N 1 0 514.548 5.082 50 0 KKAARO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683712 553985854 /nfs/dbraw/zinc/98/58/54/553985854.db2.gz VPCGDHKOAZNCSQ-UHFFFAOYSA-N 1 0 506.565 6.013 50 0 KKAARO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034683688 553985890 /nfs/dbraw/zinc/98/58/90/553985890.db2.gz MHYPOIKRPREBKW-UHFFFAOYSA-N 1 0 506.565 6.013 50 0 KKAARO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)c1 ZINC000034698844 553991513 /nfs/dbraw/zinc/99/15/13/553991513.db2.gz STXAROWYFGXHNX-WXGMZPBLSA-N 1 0 514.685 6.833 50 0 KKAARO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698697 553991663 /nfs/dbraw/zinc/99/16/63/553991663.db2.gz AVKSALOHMDYIGJ-LBNVMWSVSA-N 1 0 512.591 6.919 50 0 KKAARO COc1cc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)ccc1O ZINC000034698852 553991863 /nfs/dbraw/zinc/99/18/63/553991863.db2.gz SCGLQMVMNRDULQ-PDDLMNHVSA-N 1 0 530.684 6.539 50 0 KKAARO Cc1cc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)oc1C ZINC000034699130 553991848 /nfs/dbraw/zinc/99/18/48/553991848.db2.gz HTDMDWOPRKQETE-YWEHKCAJSA-N 1 0 530.606 7.068 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699120 553992012 /nfs/dbraw/zinc/99/20/12/553992012.db2.gz XFOAKDYXTUUMFD-WNCULLNHSA-N 1 0 515.595 6.197 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699321 553992282 /nfs/dbraw/zinc/99/22/82/553992282.db2.gz XATDTIHUKUFJHF-UFHPHHKVSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716675 553995708 /nfs/dbraw/zinc/99/57/08/553995708.db2.gz VPGIDMQPCKRJFS-GOTSBHOMSA-N 1 0 518.982 6.728 50 0 KKAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000034725339 553996726 /nfs/dbraw/zinc/99/67/26/553996726.db2.gz VKEPBFKYVXFAQY-UHFFFAOYSA-N 1 0 524.109 5.545 50 0 KKAARO C[NH+](C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(F)cc2)n1 ZINC000034771828 554003784 /nfs/dbraw/zinc/00/37/84/554003784.db2.gz RBFCUIIJJHCWKV-UHFFFAOYSA-N 1 0 530.713 5.798 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034829554 554012117 /nfs/dbraw/zinc/01/21/17/554012117.db2.gz JRHNVKGDAANFCM-UHFFFAOYSA-N 1 0 528.623 5.786 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830232 554014871 /nfs/dbraw/zinc/01/48/71/554014871.db2.gz FXLFMUCVTSVBQR-LJAQVGFWSA-N 1 0 501.696 5.077 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830157 554014933 /nfs/dbraw/zinc/01/49/33/554014933.db2.gz CTPFBMUCGTVGCK-DJUQAAIZSA-N 1 0 507.744 5.424 50 0 KKAARO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830267 554015199 /nfs/dbraw/zinc/01/51/99/554015199.db2.gz PQDBPBCIWVBSMH-BTYSJIOQSA-N 1 0 501.696 5.076 50 0 KKAARO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034830266 554015298 /nfs/dbraw/zinc/01/52/98/554015298.db2.gz PQDBPBCIWVBSMH-RNWIMVQKSA-N 1 0 501.696 5.076 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830393 554015557 /nfs/dbraw/zinc/01/55/57/554015557.db2.gz MNYODBKMFQHKQZ-IADCTJSHSA-N 1 0 507.744 5.424 50 0 KKAARO CCc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830431 554015574 /nfs/dbraw/zinc/01/55/74/554015574.db2.gz TWMAHXODAVPQFG-IADCTJSHSA-N 1 0 515.723 5.330 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830512 554016224 /nfs/dbraw/zinc/01/62/24/554016224.db2.gz OLTYFLBAIKJLOR-WINIVTDRSA-N 1 0 526.077 5.251 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833906 554018574 /nfs/dbraw/zinc/01/85/74/554018574.db2.gz YRYSTFJKEUIYPO-UHFFFAOYSA-N 1 0 505.597 5.597 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834221 554018588 /nfs/dbraw/zinc/01/85/88/554018588.db2.gz UJMFBJXAVLPGTK-HXUWFJFHSA-N 1 0 520.077 5.966 50 0 KKAARO CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)CC(C)C)cc1 ZINC000034834399 554018863 /nfs/dbraw/zinc/01/88/63/554018863.db2.gz REWZHZZJXLTFJK-UHFFFAOYSA-N 1 0 517.718 5.410 50 0 KKAARO COc1ccccc1-c1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834320 554018944 /nfs/dbraw/zinc/01/89/44/554018944.db2.gz ZHYKWRNJERORFZ-FQEVSTJZSA-N 1 0 518.061 5.720 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Cc1cccs1 ZINC000034835421 554019587 /nfs/dbraw/zinc/01/95/87/554019587.db2.gz ZKHHFNNRJCJHGD-UHFFFAOYSA-N 1 0 511.711 5.147 50 0 KKAARO CCCC[C@H](CC)C(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)CC(C)C ZINC000034835335 554019580 /nfs/dbraw/zinc/01/95/80/554019580.db2.gz VJUCPBBILIQJNK-VWLOTQADSA-N 1 0 527.773 6.305 50 0 KKAARO CCCC[C@@H](CC)C(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1 ZINC000034835427 554020039 /nfs/dbraw/zinc/02/00/39/554020039.db2.gz LBEACRNNGLMSJO-XMMPIXPASA-N 1 0 513.746 6.059 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898950 554023934 /nfs/dbraw/zinc/02/39/34/554023934.db2.gz FZAQUBVCPCGPHX-AREMUKBSSA-N 1 0 506.650 5.800 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397169 554047719 /nfs/dbraw/zinc/04/77/19/554047719.db2.gz PHVPYZRPRIWSTM-UHFFFAOYSA-N 1 0 515.098 6.162 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397206 554047872 /nfs/dbraw/zinc/04/78/72/554047872.db2.gz RUIWBLWJPJBTAG-UHFFFAOYSA-N 1 0 513.505 5.451 50 0 KKAARO COc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCC(C)C)cs2)cc1 ZINC000035419219 554049666 /nfs/dbraw/zinc/04/96/66/554049666.db2.gz GBEBIXMNTRDHOS-UHFFFAOYSA-N 1 0 527.734 6.762 50 0 KKAARO Cc1ccc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003539 554054791 /nfs/dbraw/zinc/05/47/91/554054791.db2.gz QIOMEZZNUTWCQZ-HOYUZMNJSA-N 1 0 623.222 6.681 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[N@@H+]5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454644 554055687 /nfs/dbraw/zinc/05/56/87/554055687.db2.gz MHDRXGOVDKXBQJ-XZOQPEGZSA-N 1 0 516.686 5.282 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1 ZINC000098005772 554058579 /nfs/dbraw/zinc/05/85/79/554058579.db2.gz UPJJXDJTPWIULJ-UHFFFAOYSA-N 1 0 539.602 5.150 50 0 KKAARO C[C@@H](c1ccccc1)[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035577087 554061445 /nfs/dbraw/zinc/06/14/45/554061445.db2.gz DQUUZYUBXGZDLW-IBGZPJMESA-N 1 0 511.580 5.226 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000098009760 554070769 /nfs/dbraw/zinc/07/07/69/554070769.db2.gz YYYZYHPVXBGFJZ-IEWVHIKDSA-N 1 0 555.763 6.856 50 0 KKAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768431 554072278 /nfs/dbraw/zinc/07/22/78/554072278.db2.gz MLWWAWTWTGLEJI-GDLZYMKVSA-N 1 0 529.656 5.580 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2ccccc2)s1 ZINC000035808322 554077296 /nfs/dbraw/zinc/07/72/96/554077296.db2.gz GDEVDGRZPPLQHX-UHFFFAOYSA-N 1 0 522.690 5.744 50 0 KKAARO Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2F)c1C ZINC000098011319 554079777 /nfs/dbraw/zinc/07/97/77/554079777.db2.gz DOOUVCNGWYGENF-WJOKGBTCSA-N 1 0 571.722 5.142 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842573 554080957 /nfs/dbraw/zinc/08/09/57/554080957.db2.gz IYXBNZXIMFGNHV-NDEPHWFRSA-N 1 0 521.746 5.535 50 0 KKAARO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842647 554081089 /nfs/dbraw/zinc/08/10/89/554081089.db2.gz LXZYHIOHIAPBNZ-HKBQPEDESA-N 1 0 539.764 6.351 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011784 554084154 /nfs/dbraw/zinc/08/41/54/554084154.db2.gz BRFUANJYZFBMTC-HKBQPEDESA-N 1 0 553.732 5.003 50 0 KKAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1cccc(C)c1C ZINC000098012336 554089786 /nfs/dbraw/zinc/08/97/86/554089786.db2.gz XZCQUIUZSFVCHM-YTTGMZPUSA-N 1 0 583.758 5.012 50 0 KKAARO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925697 554097813 /nfs/dbraw/zinc/09/78/13/554097813.db2.gz MPSUBKUJQXIHCT-UHFFFAOYSA-N 1 0 508.592 5.745 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](C3CCCCC3)CC1)nc2-c1ccc(F)cc1 ZINC000035930083 554101720 /nfs/dbraw/zinc/10/17/20/554101720.db2.gz FXCCBSCDSKUPGR-UHFFFAOYSA-N 1 0 506.029 5.312 50 0 KKAARO Cc1ccc(Cl)cc1-n1c(SCc2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)nnc1-c1ccccc1Cl ZINC000098017669 554109605 /nfs/dbraw/zinc/10/96/05/554109605.db2.gz WKNUPLVTUNDIST-UHFFFAOYSA-N 1 0 649.673 7.693 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098019722 554114066 /nfs/dbraw/zinc/11/40/66/554114066.db2.gz LGUFWJXIHDLLRB-UHFFFAOYSA-N 1 0 602.559 5.722 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000098020113 554116805 /nfs/dbraw/zinc/11/68/05/554116805.db2.gz GMJJTOPHYFQMKU-GDLZYMKVSA-N 1 0 551.772 5.161 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000036007041 554131865 /nfs/dbraw/zinc/13/18/65/554131865.db2.gz CSUQHRYVIMMDIO-NBLTXYOTSA-N 1 0 507.659 6.445 50 0 KKAARO CC1CC[NH+](C[C@@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1 ZINC000098048112 554159499 /nfs/dbraw/zinc/15/94/99/554159499.db2.gz RBMPCJVIUXACPX-QGZVFWFLSA-N 1 0 574.244 5.097 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000098048089 554159504 /nfs/dbraw/zinc/15/95/04/554159504.db2.gz TXUCVXGBECMFTD-UHFFFAOYSA-N 1 0 538.139 7.439 50 0 KKAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048102 554159567 /nfs/dbraw/zinc/15/95/67/554159567.db2.gz PHPOHBBGAQAXPU-LJQANCHMSA-N 1 0 596.250 5.197 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000036064695 554163554 /nfs/dbraw/zinc/16/35/54/554163554.db2.gz HICHITIOVVNYNE-QCBIVOAOSA-N 1 0 531.741 5.793 50 0 KKAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000036068767 554165869 /nfs/dbraw/zinc/16/58/69/554165869.db2.gz KRUQMIOJYZIAHB-UHFFFAOYSA-N 1 0 502.590 5.100 50 0 KKAARO CS(=O)(=O)c1ccc(CN(C(=O)c2cc(Cl)nc(Cl)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100001479 554177478 /nfs/dbraw/zinc/17/74/78/554177478.db2.gz NHWVNSPWOLUJSA-UHFFFAOYSA-N 1 0 532.493 5.099 50 0 KKAARO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000100003902 554177759 /nfs/dbraw/zinc/17/77/59/554177759.db2.gz GSNHKUDZZFZSJB-QYOOZWMWSA-N 1 0 513.677 5.951 50 0 fda KKAARO COCCCOc1cc(C[C@@H](C[C@H]([NH2+]Cc2ccccc2)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC ZINC000100049650 554194365 /nfs/dbraw/zinc/19/43/65/554194365.db2.gz VKRISSPATUPHFJ-NUISNXNRSA-N 1 0 525.730 6.061 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000036203093 554201012 /nfs/dbraw/zinc/20/10/12/554201012.db2.gz JYVPDHNROJYTHX-UHFFFAOYSA-N 1 0 519.613 5.759 50 0 KKAARO Cc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205358 554201125 /nfs/dbraw/zinc/20/11/25/554201125.db2.gz BQPSENSCVSOJSF-VWLOTQADSA-N 1 0 501.696 6.007 50 0 KKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302051 554211670 /nfs/dbraw/zinc/21/16/70/554211670.db2.gz UAXRSEWQUQEUOH-YWEHKCAJSA-N 1 0 529.681 6.160 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036301746 554211716 /nfs/dbraw/zinc/21/17/16/554211716.db2.gz GVYXTFCBYNRAON-XMMPIXPASA-N 1 0 500.083 6.260 50 0 KKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301989 554212066 /nfs/dbraw/zinc/21/20/66/554212066.db2.gz YEZMOHUNVMYRPD-DEOSSOPVSA-N 1 0 505.615 5.363 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302374 554212448 /nfs/dbraw/zinc/21/24/48/554212448.db2.gz LKPBEQOOSPQNNS-MHZLTWQESA-N 1 0 529.681 6.188 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036303970 554213814 /nfs/dbraw/zinc/21/38/14/554213814.db2.gz UIXDGXAVUWETIS-SANMLTNESA-N 1 0 505.609 6.313 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COCC(C)C ZINC000036304962 554215005 /nfs/dbraw/zinc/21/50/05/554215005.db2.gz AZWUQOXWASHKNU-QFIPXVFZSA-N 1 0 502.055 5.015 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036305078 554215030 /nfs/dbraw/zinc/21/50/30/554215030.db2.gz AQDSWDLEBJLJAR-VWLOTQADSA-N 1 0 506.046 5.585 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305285 554215440 /nfs/dbraw/zinc/21/54/40/554215440.db2.gz JTEGOQLYQMSDOM-SANMLTNESA-N 1 0 529.681 6.094 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036306297 554215765 /nfs/dbraw/zinc/21/57/65/554215765.db2.gz SAZBBJRWRJAMCG-VWLOTQADSA-N 1 0 501.627 5.076 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306554 554215893 /nfs/dbraw/zinc/21/58/93/554215893.db2.gz LNHLEGSYSUIFOV-VWLOTQADSA-N 1 0 501.627 5.571 50 0 KKAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313066 554218881 /nfs/dbraw/zinc/21/88/81/554218881.db2.gz DIFHZIUDXDUUFQ-SQHAQQRYSA-N 1 0 507.675 5.137 50 0 KKAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313067 554218972 /nfs/dbraw/zinc/21/89/72/554218972.db2.gz DIFHZIUDXDUUFQ-IGKIAQTJSA-N 1 0 507.675 5.137 50 0 KKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340985 554220302 /nfs/dbraw/zinc/22/03/02/554220302.db2.gz DQWNRZBBTOMEAH-SSEXGKCCSA-N 1 0 500.086 6.589 50 0 KKAARO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341193 554220622 /nfs/dbraw/zinc/22/06/22/554220622.db2.gz ZGCHHNAJJLYJJU-GDLZYMKVSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341858 554221211 /nfs/dbraw/zinc/22/12/11/554221211.db2.gz MCIFHZDYXXQRBS-NDEPHWFRSA-N 1 0 511.622 5.056 50 0 KKAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343937 554222364 /nfs/dbraw/zinc/22/23/64/554222364.db2.gz AUCYSILZISDWEZ-NDEPHWFRSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344189 554222711 /nfs/dbraw/zinc/22/27/11/554222711.db2.gz NSZWIQUYJDSWBA-GDLZYMKVSA-N 1 0 515.629 5.475 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036345940 554223623 /nfs/dbraw/zinc/22/36/23/554223623.db2.gz UWYYHCRJUNLKNW-GDLZYMKVSA-N 1 0 511.666 6.071 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036346050 554223666 /nfs/dbraw/zinc/22/36/66/554223666.db2.gz JTKQUIWZTZXMBU-AREMUKBSSA-N 1 0 503.618 5.902 50 0 KKAARO CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccccc1 ZINC000037277358 554233309 /nfs/dbraw/zinc/23/33/09/554233309.db2.gz LIZFMKUSISNGPG-LJAQVGFWSA-N 1 0 530.757 5.446 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](Cc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000037380130 554237240 /nfs/dbraw/zinc/23/72/40/554237240.db2.gz UWZFXCXFKLKDPX-IZEXYCQBSA-N 1 0 523.765 7.341 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cc1)NCC[NH+]1CCCC1 ZINC000037380620 554237457 /nfs/dbraw/zinc/23/74/57/554237457.db2.gz JWJJCVTWHFUVEQ-HHHXNRCGSA-N 1 0 519.611 6.442 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100178242 554241211 /nfs/dbraw/zinc/24/12/11/554241211.db2.gz SXAGVEHGYUSQRE-XHQAOKIUSA-N 1 0 562.497 5.555 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C\c2ccc(Br)cc2Br)nc2ccc(OC)cc21 ZINC000100190877 554244749 /nfs/dbraw/zinc/24/47/49/554244749.db2.gz YWPCLBUQOZWORF-RXEWJAMOSA-N 1 0 576.377 7.256 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000037524398 554250381 /nfs/dbraw/zinc/25/03/81/554250381.db2.gz MBWCVSFPSHMRRG-YTMVLYRLSA-N 1 0 508.628 7.028 50 0 KKAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 ZINC000038139127 554259030 /nfs/dbraw/zinc/25/90/30/554259030.db2.gz KWKKMWSTIAMOEV-UHFFFAOYSA-N 1 0 578.760 5.041 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2ccc(Cl)cc2s1 ZINC000038139145 554259331 /nfs/dbraw/zinc/25/93/31/554259331.db2.gz TXUFZZUOCTZYJH-UHFFFAOYSA-N 1 0 555.125 5.300 50 0 KKAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2c1 ZINC000038139152 554259373 /nfs/dbraw/zinc/25/93/73/554259373.db2.gz ODAZHZCEIAHTBZ-UHFFFAOYSA-N 1 0 542.771 5.410 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000038139132 554259384 /nfs/dbraw/zinc/25/93/84/554259384.db2.gz JRBPUTJYOXGBQT-UHFFFAOYSA-N 1 0 554.713 5.245 50 0 KKAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000038144532 554265932 /nfs/dbraw/zinc/26/59/32/554265932.db2.gz LWBCUJPANRADFK-SFHVURJKSA-N 1 0 579.586 5.220 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000038146811 554269884 /nfs/dbraw/zinc/26/98/84/554269884.db2.gz SKRXFKGFKFOOKW-JJDPYXMGSA-N 1 0 547.696 5.537 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000038148193 554270455 /nfs/dbraw/zinc/27/04/55/554270455.db2.gz IIQSJHUEZBTSAT-VMPREFPWSA-N 1 0 608.735 6.859 50 0 biogenic,in-vitro KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccccc1 ZINC000043883929 554300357 /nfs/dbraw/zinc/30/03/57/554300357.db2.gz REMYYYICRNOILH-CMSWSFRRSA-N 1 0 507.675 5.218 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912782 554313936 /nfs/dbraw/zinc/31/39/36/554313936.db2.gz IBNWTZLKWUOIQN-UHFFFAOYSA-N 1 0 527.134 6.031 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Br)cc1)=N2 ZINC000045912823 554313948 /nfs/dbraw/zinc/31/39/48/554313948.db2.gz KLTDCPRZESXPFS-UHFFFAOYSA-N 1 0 521.431 5.112 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049766990 554325573 /nfs/dbraw/zinc/32/55/73/554325573.db2.gz HRKFJRCDWJUEPA-QHCPKHFHSA-N 1 0 631.412 7.068 50 0 KKAARO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc(OCC)c1OCC ZINC000055533090 554350729 /nfs/dbraw/zinc/35/07/29/554350729.db2.gz BGNINWMCDZJBEY-UHFFFAOYSA-N 1 0 503.643 5.457 50 0 KKAARO O=C1CCCCc2c3cc(C4CCCCC4)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000057142616 554352762 /nfs/dbraw/zinc/35/27/62/554352762.db2.gz QVXAFEVSMSVBOC-UHFFFAOYSA-N 1 0 504.718 8.301 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000057222944 554352992 /nfs/dbraw/zinc/35/29/92/554352992.db2.gz GQDOWPKCVQCLLH-UHFFFAOYSA-N 1 0 522.045 5.165 50 0 KKAARO C(/C=C/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000059075700 554372169 /nfs/dbraw/zinc/37/21/69/554372169.db2.gz FFHFWXFRNXVNTB-UHFFFAOYSA-N 1 0 561.795 11.688 50 0 KKAARO Cc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059796308 554430763 /nfs/dbraw/zinc/43/07/63/554430763.db2.gz HTVNOZMEKLYJJG-HSUBUAJGSA-N 1 0 513.597 5.163 50 0 KKAARO CC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000100766433 554470333 /nfs/dbraw/zinc/47/03/33/554470333.db2.gz AATCBLYHOUOCTO-UHFFFAOYSA-N 1 0 582.726 5.241 50 0 in-vitro KKAARO CCOC(C[N@H+](C)[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818476 554478666 /nfs/dbraw/zinc/47/86/66/554478666.db2.gz OAMNGNQWYXUGQN-JGCGQSQUSA-N 1 0 599.768 7.477 50 0 KKAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)N2CC[NH+]([C@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868768 554497434 /nfs/dbraw/zinc/49/74/34/554497434.db2.gz YPTZLBMZADCDLD-MAZIBIHTSA-N 1 0 584.764 7.780 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000060209771 554503708 /nfs/dbraw/zinc/50/37/08/554503708.db2.gz RIIHHMRKZILSGD-UHFFFAOYSA-N 1 0 549.162 5.503 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000100884045 554508098 /nfs/dbraw/zinc/50/80/98/554508098.db2.gz OMSDQAGMUFVGTR-UHFFFAOYSA-N 1 0 556.534 6.094 50 0 KKAARO C(/C=C/C=C/[NH+]1CCCCC1)=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000063591204 554510102 /nfs/dbraw/zinc/51/01/02/554510102.db2.gz DTUQAPRCDGQOMB-GKDIFYBSSA-N 1 0 517.716 9.704 50 0 KKAARO O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000100927866 554524947 /nfs/dbraw/zinc/52/49/47/554524947.db2.gz XCXCTADEDYBQGZ-MUUFRUSVSA-N 1 0 512.997 5.094 50 0 KKAARO O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000100927862 554524969 /nfs/dbraw/zinc/52/49/69/554524969.db2.gz XCXCTADEDYBQGZ-COMWGTSQSA-N 1 0 512.997 5.094 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5cccc(Cl)c5)CC4)sc3nc2c1Cl ZINC000065330831 554526308 /nfs/dbraw/zinc/52/63/08/554526308.db2.gz FVJBJLKRDLOMIE-UHFFFAOYSA-N 1 0 514.478 6.407 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)sc3nc2c1Cl ZINC000065330821 554526331 /nfs/dbraw/zinc/52/63/31/554526331.db2.gz LVNGOHRPXDGDCC-UHFFFAOYSA-N 1 0 501.096 5.182 50 0 KKAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc21 ZINC000100933496 554528210 /nfs/dbraw/zinc/52/82/10/554528210.db2.gz NXSKVPNAJUQWSP-UHFFFAOYSA-N 1 0 548.734 5.345 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000067997823 554538030 /nfs/dbraw/zinc/53/80/30/554538030.db2.gz VXASWNCNDAMJFB-CLJLJLNGSA-N 1 0 636.023 6.902 50 0 KKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000067997821 554538100 /nfs/dbraw/zinc/53/81/00/554538100.db2.gz VXASWNCNDAMJFB-UIOOFZCWSA-N 1 0 636.023 6.902 50 0 KKAARO Cc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987434 554548672 /nfs/dbraw/zinc/54/86/72/554548672.db2.gz JMFMRYMHVVWDKJ-ZYTZQALASA-N 1 0 530.524 8.043 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000100989570 554549821 /nfs/dbraw/zinc/54/98/21/554549821.db2.gz PDBWOFPXERRCHW-RUZDIDTESA-N 1 0 552.900 6.647 50 0 KKAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009611 554557178 /nfs/dbraw/zinc/55/71/78/554557178.db2.gz RADVIKCJDOXKSC-IOWSJCHKSA-N 1 0 571.718 5.184 50 0 KKAARO C[NH+](C)CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101052662 554568934 /nfs/dbraw/zinc/56/89/34/554568934.db2.gz GUPDVZLLUIXNLT-UHFFFAOYSA-N 1 0 570.015 5.854 50 0 KKAARO COC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000101101206 554588001 /nfs/dbraw/zinc/58/80/01/554588001.db2.gz WEPXIYBYEXWMMK-UHFFFAOYSA-N 1 0 589.765 7.012 50 0 KKAARO C[N@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205616 554675628 /nfs/dbraw/zinc/67/56/28/554675628.db2.gz DBVANVNXSDDHHB-UXHMFTDJSA-N 1 0 634.777 5.149 50 0 biogenic KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216159 554682859 /nfs/dbraw/zinc/68/28/59/554682859.db2.gz CMYINRJBFBFTGS-AREMUKBSSA-N 1 0 587.186 5.590 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000101226256 554688859 /nfs/dbraw/zinc/68/88/59/554688859.db2.gz WLBWGIAUMDCTMO-CONSDPRKSA-N 1 0 545.699 5.944 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000101226252 554688868 /nfs/dbraw/zinc/68/88/68/554688868.db2.gz WLBWGIAUMDCTMO-JSOSNVBQSA-N 1 0 545.699 5.944 50 0 KKAARO COc1cccc(OCC[NH+]2CCN(c3cc(C)nc4c(-c5ccc(F)cc5)c(C(F)(F)F)nn43)CC2)c1 ZINC000101249000 554693785 /nfs/dbraw/zinc/69/37/85/554693785.db2.gz XYMZLRUQDDEKGK-UHFFFAOYSA-N 1 0 529.538 5.072 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254796 554695471 /nfs/dbraw/zinc/69/54/71/554695471.db2.gz QXQKUXWRKLZDRH-MGBGTMOVSA-N 1 0 643.854 5.413 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254837 554695496 /nfs/dbraw/zinc/69/54/96/554695496.db2.gz HRRJHFLXBYGZKG-WJOKGBTCSA-N 1 0 617.791 5.153 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254785 554695511 /nfs/dbraw/zinc/69/55/11/554695511.db2.gz GJSMFBIFWMGJEU-WJOKGBTCSA-N 1 0 599.801 5.014 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254887 554695840 /nfs/dbraw/zinc/69/58/40/554695840.db2.gz OFHKWQNSBJRKHM-MUUNZHRXSA-N 1 0 610.611 5.532 50 0 KKAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340999 554735310 /nfs/dbraw/zinc/73/53/10/554735310.db2.gz NMSYDVRHSNRGCB-GDLZYMKVSA-N 1 0 569.768 5.055 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341601 554735931 /nfs/dbraw/zinc/73/59/31/554735931.db2.gz ZUBFLAGZJNQECR-MYUZEXMDSA-N 1 0 596.577 5.453 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372243 554744684 /nfs/dbraw/zinc/74/46/84/554744684.db2.gz KXUSORJGNFQLRU-DQUMOPHBSA-N 1 0 541.667 6.177 50 0 KKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372654 554744989 /nfs/dbraw/zinc/74/49/89/554744989.db2.gz LAKUZTCMDQBXCB-MKFSCORGSA-N 1 0 557.735 6.889 50 0 KKAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1OC ZINC000101374066 554745829 /nfs/dbraw/zinc/74/58/29/554745829.db2.gz NIPKTZCVRNGTGC-FSGOGVSDSA-N 1 0 607.176 5.409 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386112 554750953 /nfs/dbraw/zinc/75/09/53/554750953.db2.gz ROIRYERHUJQZFL-SYBRLPANSA-N 1 0 612.771 6.348 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386110 554750989 /nfs/dbraw/zinc/75/09/89/554750989.db2.gz ROIRYERHUJQZFL-VCTRWQRLSA-N 1 0 612.771 6.348 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)cc1 ZINC000101386157 554751151 /nfs/dbraw/zinc/75/11/51/554751151.db2.gz IGWFBYWUICWPQV-PDDLMNHVSA-N 1 0 542.724 5.709 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)cc1 ZINC000101386156 554751280 /nfs/dbraw/zinc/75/12/80/554751280.db2.gz IGWFBYWUICWPQV-VIZCGCQYSA-N 1 0 542.724 5.709 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386149 554751287 /nfs/dbraw/zinc/75/12/87/554751287.db2.gz ZQXVFZVLCKCNRN-JOMNFKBKSA-N 1 0 555.767 5.766 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386192 554751444 /nfs/dbraw/zinc/75/14/44/554751444.db2.gz PILWNZMOVUEQJX-QGRQJHSQSA-N 1 0 622.829 7.802 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391720 554755484 /nfs/dbraw/zinc/75/54/84/554755484.db2.gz CSTFUZXEARCNQU-IAPPQJPRSA-N 1 0 549.900 5.759 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391695 554755551 /nfs/dbraw/zinc/75/55/51/554755551.db2.gz IQGLJKGZLRIGOW-IXCJQBJRSA-N 1 0 539.001 6.015 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000101391743 554755643 /nfs/dbraw/zinc/75/56/43/554755643.db2.gz WBNSZLXBDDJMBW-DFZDUAMZSA-N 1 0 541.921 5.891 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406970 554762188 /nfs/dbraw/zinc/76/21/88/554762188.db2.gz YDBKIQPKQSPWBG-JOCHJYFZSA-N 1 0 539.623 6.231 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416262 554765381 /nfs/dbraw/zinc/76/53/81/554765381.db2.gz JYEBJRKQXHXRCT-PSWAGMNNSA-N 1 0 573.759 5.394 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416410 554765456 /nfs/dbraw/zinc/76/54/56/554765456.db2.gz XVGGQIUBETULMH-UHFFFAOYSA-N 1 0 573.759 5.681 50 0 KKAARO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101419231 554766683 /nfs/dbraw/zinc/76/66/83/554766683.db2.gz JVQFIVIGXOMNNB-UHFFFAOYSA-N 1 0 565.549 5.581 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc3)C2=O)c1 ZINC000101506340 554790174 /nfs/dbraw/zinc/79/01/74/554790174.db2.gz XTTQKHFKHXWBCB-GDTZSVFOSA-N 1 0 553.772 6.835 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506351 554790195 /nfs/dbraw/zinc/79/01/95/554790195.db2.gz NUBFNOVXPUNYQG-SJIPCVTESA-N 1 0 555.788 7.225 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000101507045 554790987 /nfs/dbraw/zinc/79/09/87/554790987.db2.gz PQNCFFTXZAKQAX-RZYVVUTRSA-N 1 0 553.772 7.059 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000101507060 554791186 /nfs/dbraw/zinc/79/11/86/554791186.db2.gz MLELMVZRPINDNJ-SSEXGKCCSA-N 1 0 589.777 5.546 50 0 KKAARO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)N(Cc3cccc(Cl)c3)C(=O)c3ccccc3S4(=O)=O)cc2)CC1 ZINC000101507650 554791526 /nfs/dbraw/zinc/79/15/26/554791526.db2.gz MTGUCBDZBBCERJ-UHFFFAOYSA-N 1 0 614.167 6.817 50 0 KKAARO O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000101590454 554802746 /nfs/dbraw/zinc/80/27/46/554802746.db2.gz KUSDNZBMYNWOAK-UHFFFAOYSA-N 1 0 535.113 5.655 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101637056 554813332 /nfs/dbraw/zinc/81/33/32/554813332.db2.gz GFNLKZBVYRBIGX-QJEDIVLFSA-N 1 0 553.772 6.773 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637390 554813350 /nfs/dbraw/zinc/81/33/50/554813350.db2.gz DPJLLSSNIAYHQV-BGDIREAQSA-N 1 0 620.794 6.443 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101637767 554813844 /nfs/dbraw/zinc/81/38/44/554813844.db2.gz ANQCVBILRGEJQW-QLKFWGTOSA-N 1 0 613.183 5.215 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(CS(=O)(=O)c4c(Cl)cccc4Cl)o3)CC2)c1 ZINC000101639998 554814314 /nfs/dbraw/zinc/81/43/14/554814314.db2.gz DRLULGBEZKCKME-UHFFFAOYSA-N 1 0 564.535 5.119 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1c(Cl)cc(Cl)cc1Cl ZINC000101661561 554821844 /nfs/dbraw/zinc/82/18/44/554821844.db2.gz UQPSGVLKICGTFJ-UHFFFAOYSA-N 1 0 595.880 7.764 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000101671282 554824686 /nfs/dbraw/zinc/82/46/86/554824686.db2.gz YXXNPRGUKZSGPT-CXNUKBDRSA-N 1 0 574.608 5.825 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000101671193 554824731 /nfs/dbraw/zinc/82/47/31/554824731.db2.gz NHYKODDUGWTYEY-GGKJBDKJSA-N 1 0 557.606 5.081 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000101677120 554828037 /nfs/dbraw/zinc/82/80/37/554828037.db2.gz QEHSTCSMJKANMO-AREMUKBSSA-N 1 0 538.692 6.365 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101687348 554829988 /nfs/dbraw/zinc/82/99/88/554829988.db2.gz VTNHGSQVSZHXPF-SWKFRHMKSA-N 1 0 593.715 6.646 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N(C)Cc2ccsc2)CC1 ZINC000101757987 554836250 /nfs/dbraw/zinc/83/62/50/554836250.db2.gz SNALUWNOVLQQAQ-LMSSTIIKSA-N 1 0 581.226 5.862 50 0 KKAARO OC[C@H](Cc1ccccc1)[NH+]=c1c(N(C2CCCCC2)C2CCCCC2)c1N(C1CCCCC1)C1CCCCC1 ZINC000101772569 554837706 /nfs/dbraw/zinc/83/77/06/554837706.db2.gz DXMGBELJCUJNQN-LJAQVGFWSA-N 1 0 545.856 8.010 50 0 KKAARO COc1ccccc1-c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000101904429 554848265 /nfs/dbraw/zinc/84/82/65/554848265.db2.gz OJWKJPNTMQIDDL-UHFFFAOYSA-N 1 0 552.078 6.120 50 0 KKAARO COc1ccc(C[N@@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000101953935 554853020 /nfs/dbraw/zinc/85/30/20/554853020.db2.gz CEIPUCPLTDWGBJ-QCDSWUKFSA-N 1 0 585.749 5.478 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101978786 554863351 /nfs/dbraw/zinc/86/33/51/554863351.db2.gz RKNHBRWTSPBISK-LOYHVIPDSA-N 1 0 579.210 5.975 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000102045897 554870204 /nfs/dbraw/zinc/87/02/04/554870204.db2.gz NKQIAUYQXYUDEZ-QCDSWUKFSA-N 1 0 563.708 7.857 50 0 KKAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000102097056 554879716 /nfs/dbraw/zinc/87/97/16/554879716.db2.gz PAOFDPRIIUQEQT-BVAGGSTKSA-N 1 0 532.647 7.228 50 0 KKAARO Cc1cc(C)cc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000102103456 554882011 /nfs/dbraw/zinc/88/20/11/554882011.db2.gz UADXXXLQUOSOFA-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000102103480 554882056 /nfs/dbraw/zinc/88/20/56/554882056.db2.gz LEGOBJCNOHGZOE-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(C[N@H+](C)Cc5ccc6ncccc6c5)cc4)CC3)o2)cc1 ZINC000102114992 554882856 /nfs/dbraw/zinc/88/28/56/554882856.db2.gz WWNLTEKZRJMBDG-UHFFFAOYSA-N 1 0 561.682 6.819 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143566 554888888 /nfs/dbraw/zinc/88/88/88/554888888.db2.gz PNIKLBBJXAAJED-FUFSCUOVSA-N 1 0 558.616 6.628 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143562 554888953 /nfs/dbraw/zinc/88/89/53/554888953.db2.gz PNIKLBBJXAAJED-PWUYWRBVSA-N 1 0 558.616 6.628 50 0 KKAARO CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000102165405 554890365 /nfs/dbraw/zinc/89/03/65/554890365.db2.gz FNZIWLFJYNEEPZ-UHFFFAOYSA-N 1 0 538.739 5.297 50 0 KKAARO COc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000102170752 554891441 /nfs/dbraw/zinc/89/14/41/554891441.db2.gz XIJJZISRTRXFSE-UHSQPCAPSA-N 1 0 572.105 5.322 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244016 554903267 /nfs/dbraw/zinc/90/32/67/554903267.db2.gz LFTBJKAKSQPYRS-UHFFFAOYSA-N 1 0 537.886 5.627 50 0 KKAARO Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Cl ZINC000102336214 554912609 /nfs/dbraw/zinc/91/26/09/554912609.db2.gz UBDGIKNQQJBQQC-UHFFFAOYSA-N 1 0 554.112 5.206 50 0 KKAARO O=C([C@@H]1C[C@H](Sc2ccccn2)CN1C/C(Cl)=C/c1ccccc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000102413327 554924022 /nfs/dbraw/zinc/92/40/22/554924022.db2.gz GOTJCWCVDFIFPU-TWCJHMAHSA-N 1 0 577.238 5.865 50 0 KKAARO C[C@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000102418964 554925151 /nfs/dbraw/zinc/92/51/51/554925151.db2.gz AZOWWNOQTATCKY-NRFANRHFSA-N 1 0 546.593 6.911 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102592925 554974419 /nfs/dbraw/zinc/97/44/19/554974419.db2.gz ABLSAEDFRIFMQA-UHFFFAOYSA-N 1 0 559.685 7.357 50 0 KKAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000102593320 554974740 /nfs/dbraw/zinc/97/47/40/554974740.db2.gz LIQQZQZDJAVWIJ-QCENPCRXSA-N 1 0 558.719 5.485 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102611970 554981768 /nfs/dbraw/zinc/98/17/68/554981768.db2.gz UVIXXKPZDMCXQT-RUEHRCPZSA-N 1 0 574.190 7.118 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000102618504 554985509 /nfs/dbraw/zinc/98/55/09/554985509.db2.gz YXZDDCHXXFNTIS-UZNNEEJFSA-N 1 0 596.791 5.943 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102633737 554990156 /nfs/dbraw/zinc/99/01/56/554990156.db2.gz VPDWQCSGRSINMO-GHMVGRGESA-N 1 0 595.393 8.497 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COc1ccc(Cl)cc1)[C@@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000102661042 555000446 /nfs/dbraw/zinc/00/04/46/555000446.db2.gz BTUTVRKIIZGCDC-WJOKGBTCSA-N 1 0 548.083 5.714 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000102661949 555000699 /nfs/dbraw/zinc/00/06/99/555000699.db2.gz BGLJFUADGXHCHS-SSEXGKCCSA-N 1 0 565.799 5.409 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102661976 555000772 /nfs/dbraw/zinc/00/07/72/555000772.db2.gz LWOYYHVMOCKPJU-WJOKGBTCSA-N 1 0 585.789 5.815 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663608 555001193 /nfs/dbraw/zinc/00/11/93/555001193.db2.gz FPEDYRLYOQPEPJ-JYFHCDHNSA-N 1 0 544.589 6.325 50 0 KKAARO O=C1c2cccc(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000102673344 555002790 /nfs/dbraw/zinc/00/27/90/555002790.db2.gz AJSVTTMOBOHOFK-VWLOTQADSA-N 1 0 534.685 5.286 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102720023 555019897 /nfs/dbraw/zinc/01/98/97/555019897.db2.gz ABKKAJMGWBGMKT-PCVCTRHRSA-N 1 0 553.772 6.773 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102768269 555056074 /nfs/dbraw/zinc/05/60/74/555056074.db2.gz BBPYEIAHDSWTSZ-XIEYBQDHSA-N 1 0 560.558 5.566 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCC(C)CC3)C2=O)cc1Br ZINC000102768355 555056090 /nfs/dbraw/zinc/05/60/90/555056090.db2.gz AEHFKKAWKYMANX-KOEQRZSOSA-N 1 0 558.542 5.176 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1Br ZINC000102768354 555056198 /nfs/dbraw/zinc/05/61/98/555056198.db2.gz JOEJJNBGNINENO-DFKUXCBWSA-N 1 0 634.640 6.399 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770741 555058039 /nfs/dbraw/zinc/05/80/39/555058039.db2.gz RSROZDDXKBBNFY-BCJTWVECSA-N 1 0 607.154 5.854 50 0 KKAARO CCOc1ccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000102773630 555062280 /nfs/dbraw/zinc/06/22/80/555062280.db2.gz COUYDQWWYRAEEM-UHFFFAOYSA-N 1 0 553.216 7.442 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780073 555065329 /nfs/dbraw/zinc/06/53/29/555065329.db2.gz CLLZPIUZJCWBOZ-MJHSOURCSA-N 1 0 532.109 6.234 50 0 KKAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000102784694 555067231 /nfs/dbraw/zinc/06/72/31/555067231.db2.gz JOHAPJLGHIJMJQ-UHFFFAOYSA-N 1 0 549.140 5.409 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784678 555067248 /nfs/dbraw/zinc/06/72/48/555067248.db2.gz UMCHSWMTOQKFPK-UHFFFAOYSA-N 1 0 597.184 6.199 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840027 555081298 /nfs/dbraw/zinc/08/12/98/555081298.db2.gz RFSYZUIEKFFPTC-AFMDSPMNSA-N 1 0 542.532 5.684 50 0 KKAARO Ic1ccc(N=[P@](c2ccccc2)([C@@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000102945688 555171679 /nfs/dbraw/zinc/17/16/79/555171679.db2.gz HPCVIMORDGQJLI-NYFMKLKXSA-N 1 0 577.447 5.465 50 0 KKAARO S=c1n(CN2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000102991986 555192902 /nfs/dbraw/zinc/19/29/02/555192902.db2.gz HJOIEGUUWWXFFQ-UHFFFAOYSA-N 1 0 568.146 7.291 50 0 KKAARO S=c1n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC000102992007 555192975 /nfs/dbraw/zinc/19/29/75/555192975.db2.gz QWCHNFXBVVUXSC-UHFFFAOYSA-N 1 0 565.812 6.674 50 0 KKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024456 555214796 /nfs/dbraw/zinc/21/47/96/555214796.db2.gz LJGMKAQOFQMCBL-UHFFFAOYSA-N 1 0 532.491 5.821 50 0 KKAARO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103040096 555224605 /nfs/dbraw/zinc/22/46/05/555224605.db2.gz KBOITOQUUWEKPB-MMTVBGGISA-N 1 0 552.741 5.712 50 0 KKAARO COc1ccc(CN(CC[NH+](C)C)C(=O)c2ccccc2F)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103075553 555255210 /nfs/dbraw/zinc/25/52/10/555255210.db2.gz SXSVYOUWBIFHCC-UHFFFAOYSA-N 1 0 555.455 5.113 50 0 KKAARO COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103089590 555268497 /nfs/dbraw/zinc/26/84/97/555268497.db2.gz CFQOEZYXNPMYCT-NDEPHWFRSA-N 1 0 596.178 5.110 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCC[NH+]3CCCC3)C[C@H](OCc3ccc(C(F)(F)F)cc3)[C@@H]2O1 ZINC000103124818 555292756 /nfs/dbraw/zinc/29/27/56/555292756.db2.gz INXHYBTWUGNQAK-DEJVGURISA-N 1 0 594.646 5.211 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCC[NH+]3CCCC3)C[C@@H](OCc3ccc(C(F)(F)F)cc3)[C@@H]2O1 ZINC000103124821 555292779 /nfs/dbraw/zinc/29/27/79/555292779.db2.gz INXHYBTWUGNQAK-KMFVSHEXSA-N 1 0 594.646 5.211 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103129945 555298660 /nfs/dbraw/zinc/29/86/60/555298660.db2.gz SZPXDUXKOUOUOC-HFWHKAEWSA-N 1 0 561.707 5.108 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@@H](O)COCc1ccccc1 ZINC000103148666 555315272 /nfs/dbraw/zinc/31/52/72/555315272.db2.gz ZBEZDTMWWMXJOG-HHHXNRCGSA-N 1 0 545.680 5.262 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000103178306 555328303 /nfs/dbraw/zinc/32/83/03/555328303.db2.gz VRQBORGHGCTIQB-UHFFFAOYSA-N 1 0 541.115 6.202 50 0 KKAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc4nn(-c5ccc(Cl)cc5)c(N)c4c(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000103235011 555341903 /nfs/dbraw/zinc/34/19/03/555341903.db2.gz MXJOFIAAGKMHAY-UHFFFAOYSA-N 1 0 570.116 6.477 50 0 KKAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)c1 ZINC000103261533 555346728 /nfs/dbraw/zinc/34/67/28/555346728.db2.gz MDCXHEBFLRVKKV-PMERELPUSA-N 1 0 590.720 6.349 50 0 KKAARO C[NH+](C)CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000103269518 555348706 /nfs/dbraw/zinc/34/87/06/555348706.db2.gz XTQKWOPCFCPFOP-UHFFFAOYSA-N 1 0 537.664 5.485 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(F)cc2)n1 ZINC000103296934 555354822 /nfs/dbraw/zinc/35/48/22/555354822.db2.gz JKPLHCTZYYFNOU-UHFFFAOYSA-N 1 0 570.778 6.722 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313633 555358384 /nfs/dbraw/zinc/35/83/84/555358384.db2.gz OGYHAFLRQKSIBR-RPWUZVMVSA-N 1 0 533.883 6.220 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(OC)c(OCc2ccccc2)c1 ZINC000103419647 555400175 /nfs/dbraw/zinc/40/01/75/555400175.db2.gz CBZIPGIKDQRHCM-VIZCGCQYSA-N 1 0 555.763 6.915 50 0 KKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103420673 555401134 /nfs/dbraw/zinc/40/11/34/555401134.db2.gz QEDWBELVRNWPNG-DHUJRADRSA-N 1 0 571.765 7.311 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1 ZINC000103420805 555401398 /nfs/dbraw/zinc/40/13/98/555401398.db2.gz ROMRFNMMHUQUKN-SCAVLVJOSA-N 1 0 615.862 8.726 50 0 KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)cc1 ZINC000103561391 555448982 /nfs/dbraw/zinc/44/89/82/555448982.db2.gz GJVJXWVYDNIBCS-NKVKBKOUSA-N 1 0 609.645 7.639 50 0 KKAARO Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)cc2-c2ccccc2)cc1 ZINC000103562219 555449439 /nfs/dbraw/zinc/44/94/39/555449439.db2.gz SGGZPZOAXPPTER-USYZEHPZSA-O 1 0 620.776 10.026 50 0 KKAARO COc1ccc(-c2ccc(C(=O)N(C)Cc3csc(C)n3)c(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000102342546 562813202 /nfs/dbraw/zinc/81/32/02/562813202.db2.gz AGIPXQVALHCESH-UHFFFAOYSA-N 1 0 567.759 5.821 50 0 KKAARO CCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NCCC3CC[NH+](C)CC3)nc21 ZINC000205502630 562875511 /nfs/dbraw/zinc/87/55/11/562875511.db2.gz RYCBSFIKWACFBY-UHFFFAOYSA-N 1 0 518.065 5.041 50 0 in-vitro KKAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230067007 562881052 /nfs/dbraw/zinc/88/10/52/562881052.db2.gz CBKPNMDLZXYGLC-KYJUHHDHSA-N 1 0 531.672 5.553 50 0 KKAARO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101671503 571361352 /nfs/dbraw/zinc/36/13/52/571361352.db2.gz BLXYGJVFQUASDY-UOWMXVQPSA-N 1 0 623.536 7.762 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287969 571361434 /nfs/dbraw/zinc/36/14/34/571361434.db2.gz FRFQVSQWJGZNEN-HDHDNLQWSA-N 1 0 614.698 6.474 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103528268 571361720 /nfs/dbraw/zinc/36/17/20/571361720.db2.gz KOWNEUAZNSISRI-CYPQMOBWSA-N 1 0 584.672 6.464 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000104147866 571375386 /nfs/dbraw/zinc/37/53/86/571375386.db2.gz URMPANRMSSDWFV-ITOWZWGRSA-N 1 0 595.582 5.311 50 0 KKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920869 571387940 /nfs/dbraw/zinc/38/79/40/571387940.db2.gz XCNDMYKLQOKWQU-AOYPEHQESA-N 1 0 513.629 5.031 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041314 571390136 /nfs/dbraw/zinc/39/01/36/571390136.db2.gz RVLBJJXCIDMPPN-HVNZXBJASA-N 1 0 502.649 6.964 50 0 KKAARO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000105041688 571390247 /nfs/dbraw/zinc/39/02/47/571390247.db2.gz BAKHWBNRVAEMGS-SVEHJYQDSA-N 1 0 504.715 7.195 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000105042575 571390357 /nfs/dbraw/zinc/39/03/57/571390357.db2.gz RDXPOVJIZRZKQZ-LBNVMWSVSA-N 1 0 512.591 6.919 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000105458702 571404933 /nfs/dbraw/zinc/40/49/33/571404933.db2.gz NOLXMBAQGGRIEN-DUELTEGESA-N 1 0 508.707 5.170 50 0 KKAARO CC[NH+](CC)CCOc1c(I)cc(C(=O)c2c[nH]c3ccccc23)cc1I ZINC000108795976 571426621 /nfs/dbraw/zinc/42/66/21/571426621.db2.gz PFPZMBZZTOSRBO-UHFFFAOYSA-N 1 0 588.227 5.329 50 0 KKAARO CCCOc1ccc(C[NH+]2CCC([C@@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3N(C)C)CC2)cc1 ZINC000136976350 571449905 /nfs/dbraw/zinc/44/99/05/571449905.db2.gz PJJKXSDGYHFCJG-HKBQPEDESA-N 1 0 572.668 6.597 50 0 KKAARO CCCC[C@H]1Oc2ccccc2[C@H]1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000150339755 571457683 /nfs/dbraw/zinc/45/76/83/571457683.db2.gz YOBBAFJNSYRSGE-DHIUTWEWSA-N 1 0 647.335 6.534 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150388999 571471359 /nfs/dbraw/zinc/47/13/59/571471359.db2.gz WEMNHRSRDDRGDP-UHFFFAOYSA-N 1 0 651.766 9.852 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389030 571471459 /nfs/dbraw/zinc/47/14/59/571471459.db2.gz OFBVFVXLYUVGJR-UHFFFAOYSA-N 1 0 655.710 8.571 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389179 571471560 /nfs/dbraw/zinc/47/15/60/571471560.db2.gz DECFOTGZLRIGIB-NTCAYCPXSA-N 1 0 670.168 9.916 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(OC)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389199 571471685 /nfs/dbraw/zinc/47/16/85/571471685.db2.gz CWXWVZKRLMTDRS-DEDYPNTBSA-N 1 0 665.749 9.298 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389272 571471695 /nfs/dbraw/zinc/47/16/95/571471695.db2.gz PGRSPQHWJZDOLD-WOJGMQOQSA-N 1 0 698.222 10.596 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414585 571485117 /nfs/dbraw/zinc/48/51/17/571485117.db2.gz IJQMRYIFOLIOHA-SSEXGKCCSA-N 1 0 650.245 5.681 50 0 KKAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418951 571486868 /nfs/dbraw/zinc/48/68/68/571486868.db2.gz XBCIQXZFQISVMN-NDEPHWFRSA-N 1 0 640.181 5.040 50 0 KKAARO Cc1ccc(C)c(CN2C(=O)/C(=C/c3ccc(C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc3)Sc3ccccc32)c1 ZINC000150438281 571496783 /nfs/dbraw/zinc/49/67/83/571496783.db2.gz VBLVYOVSOYKURA-PNEAAFPUSA-N 1 0 665.303 7.887 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1 ZINC000150463022 571506989 /nfs/dbraw/zinc/50/69/89/571506989.db2.gz IIEZYEINZDLLTM-DEOSSOPVSA-N 1 0 651.193 7.287 50 0 biogenic KKAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CC[NH+](C[C@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479490 571511811 /nfs/dbraw/zinc/51/18/11/571511811.db2.gz JGRPNZJSUKYMOG-HEVIKAOCSA-N 1 0 644.816 5.987 50 0 KKAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000150653884 571526286 /nfs/dbraw/zinc/52/62/86/571526286.db2.gz ZXPRMRWMMPZQED-AVFXGLFGSA-N 1 0 670.851 5.470 50 0 biogenic KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158988158 571529932 /nfs/dbraw/zinc/52/99/32/571529932.db2.gz NSLBTBGUFUPTCR-CLJLJLNGSA-N 1 0 759.370 7.774 50 0 KKAARO O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000169349950 571553293 /nfs/dbraw/zinc/55/32/93/571553293.db2.gz XCXCTADEDYBQGZ-HXVUFMGFSA-N 1 0 512.997 5.094 50 0 KKAARO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677609 571555062 /nfs/dbraw/zinc/55/50/62/571555062.db2.gz GIMKUDMQJZCYDI-AHWVRZQESA-N 1 0 513.991 5.538 50 0 KKAARO CC[C@H](C(=O)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2OC)C1)c1ccccc1 ZINC000169677612 571555133 /nfs/dbraw/zinc/55/51/33/571555133.db2.gz OORDXFYBIWXKGQ-JNGVYSEMSA-N 1 0 510.722 6.386 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)ccc1O ZINC000169678925 571556117 /nfs/dbraw/zinc/55/61/17/571556117.db2.gz SCGLQMVMNRDULQ-YZNIXAGQSA-N 1 0 530.684 6.539 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000169679802 571556562 /nfs/dbraw/zinc/55/65/62/571556562.db2.gz STXAROWYFGXHNX-UCGGBYDDSA-N 1 0 514.685 6.833 50 0 KKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680836 571556891 /nfs/dbraw/zinc/55/68/91/571556891.db2.gz HNWYPQMPLZHZNV-CAQRMWTPSA-N 1 0 590.809 7.236 50 0 KKAARO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC(=O)C5CC5)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000207333873 571573295 /nfs/dbraw/zinc/57/32/95/571573295.db2.gz KIKOYRNAERIVSJ-UHFFFAOYSA-N 1 0 569.588 5.028 50 0 in-vitro KKAARO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000220973546 571604170 /nfs/dbraw/zinc/60/41/70/571604170.db2.gz WWRJBBGGFSRXJO-JEAUEKKMSA-N 1 0 507.763 5.680 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225380447 571747886 /nfs/dbraw/zinc/74/78/86/571747886.db2.gz QAXXBALSFDMBLS-YTXSASNOSA-N 1 0 605.607 5.044 50 0 biogenic KKAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261491673 572110436 /nfs/dbraw/zinc/11/04/36/572110436.db2.gz BXVGNWVZTITFOY-UHFFFAOYSA-N 1 0 535.052 5.034 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585779 572120601 /nfs/dbraw/zinc/12/06/01/572120601.db2.gz MINXMYCTIBZHJO-UPDCLGQQSA-N 1 0 648.845 5.070 50 0 KKAARO O=c1ccc2ccc(OCCCCn3c(=O)ccc4ccc(OCCCC[NH+]5CCN(c6cccc7sccc76)CC5)cc43)cc2[nH]1 ZINC000263635669 572132595 /nfs/dbraw/zinc/13/25/95/572132595.db2.gz ASMZGKYPXIZKIZ-UHFFFAOYSA-N 1 0 648.829 7.310 50 0 KKAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)CCC2 ZINC000299771504 572135409 /nfs/dbraw/zinc/13/54/09/572135409.db2.gz PPCXZPQLVLVUOL-GMCHKSTQSA-N 1 0 591.722 6.021 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](c2ccccc2)CC1 ZINC000299781973 572136258 /nfs/dbraw/zinc/13/62/58/572136258.db2.gz VDKPDWXMGHWMQB-MHZLTWQESA-N 1 0 532.688 5.877 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1OC ZINC000229983233 572176547 /nfs/dbraw/zinc/17/65/47/572176547.db2.gz OREUHWJXLLJEAM-XWSGIVAFSA-N 1 0 586.644 5.694 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000229990695 572176969 /nfs/dbraw/zinc/17/69/69/572176969.db2.gz JIVVYSVNBXXPDE-YFEJKJEYSA-N 1 0 561.694 6.353 50 0 biogenic KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230076639 572182688 /nfs/dbraw/zinc/18/26/88/572182688.db2.gz UPJCCALPMBAUFV-NSOVKSMOSA-N 1 0 503.712 5.713 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077066 572182697 /nfs/dbraw/zinc/18/26/97/572182697.db2.gz ALWRIKVPWYIDRQ-SXOMAYOGSA-N 1 0 507.700 5.696 50 0 KKAARO COc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)c1 ZINC000230156028 572184360 /nfs/dbraw/zinc/18/43/60/572184360.db2.gz XUOSCCOZUPEBSV-YWEHKCAJSA-N 1 0 528.590 6.620 50 0 KKAARO CN(C)[C@H](C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 ZINC000245225345 572202372 /nfs/dbraw/zinc/20/23/72/572202372.db2.gz SPNBKVUSSNSXEI-SXZSRNETSA-N 1 0 562.751 5.095 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000245228530 572205431 /nfs/dbraw/zinc/20/54/31/572205431.db2.gz JGNGLITYQVEAHL-FXZLDBAYSA-N 1 0 570.803 5.997 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279512 572224078 /nfs/dbraw/zinc/22/40/78/572224078.db2.gz GQFCRXRYAJLBCZ-HOFKKMOUSA-N 1 0 512.572 5.992 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279054 572224257 /nfs/dbraw/zinc/22/42/57/572224257.db2.gz BANXZYFKGPGFNK-NVQXNPDNSA-N 1 0 501.568 5.949 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000245343192 572237668 /nfs/dbraw/zinc/23/76/68/572237668.db2.gz HSCHHAAYXUKTPQ-UZTOHYMASA-N 1 0 574.644 6.008 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343313 572238089 /nfs/dbraw/zinc/23/80/89/572238089.db2.gz LRLFKNQGLFKLBZ-UHSQPCAPSA-N 1 0 576.625 8.047 50 0 KKAARO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490897 572242427 /nfs/dbraw/zinc/24/24/27/572242427.db2.gz MMMBVLQYOTVKMC-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496641 572242557 /nfs/dbraw/zinc/24/25/57/572242557.db2.gz OJULPNNZVZVZOL-HXUWFJFHSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247524210 572242855 /nfs/dbraw/zinc/24/28/55/572242855.db2.gz YTLHLQORJMVPHZ-QFIPXVFZSA-N 1 0 507.465 5.920 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720644 572243841 /nfs/dbraw/zinc/24/38/41/572243841.db2.gz AFFDGHSTNVOXTN-DEOSSOPVSA-N 1 0 509.053 6.742 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807914 572245284 /nfs/dbraw/zinc/24/52/84/572245284.db2.gz CISIYSQRBAOILC-SANMLTNESA-N 1 0 547.187 7.444 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846350 572246095 /nfs/dbraw/zinc/24/60/95/572246095.db2.gz HGLZNIXDIKSBFG-SSEXGKCCSA-N 1 0 648.649 6.934 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847207 572246349 /nfs/dbraw/zinc/24/63/49/572246349.db2.gz HKVKIARSJWROSW-HSZRJFAPSA-N 1 0 580.535 6.091 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247862331 572246914 /nfs/dbraw/zinc/24/69/14/572246914.db2.gz NADPNDWLHOFCLR-NRFANRHFSA-N 1 0 533.598 5.004 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868426 572247148 /nfs/dbraw/zinc/24/71/48/572247148.db2.gz PPUDDIXEGOGHDU-OAQYLSRUSA-N 1 0 566.508 6.032 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870902 572247236 /nfs/dbraw/zinc/24/72/36/572247236.db2.gz QOOKZSPZWKPEJC-NRFANRHFSA-N 1 0 594.504 5.627 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876010 572247580 /nfs/dbraw/zinc/24/75/80/572247580.db2.gz TWVVAIDTKZATTP-DEOSSOPVSA-N 1 0 562.545 5.952 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879918 572247811 /nfs/dbraw/zinc/24/78/11/572247811.db2.gz VGURLSAZYRXRIZ-OAQYLSRUSA-N 1 0 610.959 6.141 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c(C)c1 ZINC000247876259 572247976 /nfs/dbraw/zinc/24/79/76/572247976.db2.gz ONLVXUZMKTUAIB-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247877830 572248115 /nfs/dbraw/zinc/24/81/15/572248115.db2.gz UNBFEPGUCWDJKK-NRFANRHFSA-N 1 0 610.959 6.141 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894701 572248762 /nfs/dbraw/zinc/24/87/62/572248762.db2.gz OCURNWWJNVRTRC-XIFFEERXSA-N 1 0 613.806 6.239 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899965 572248911 /nfs/dbraw/zinc/24/89/11/572248911.db2.gz YYXBDPLOLUMWHF-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000247972664 572251293 /nfs/dbraw/zinc/25/12/93/572251293.db2.gz DPQWSEXWSCVMDM-MKYKQAKUSA-N 1 0 524.627 5.875 50 0 KKAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989278 572251565 /nfs/dbraw/zinc/25/15/65/572251565.db2.gz LULIRUGBZXRONU-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247996691 572251570 /nfs/dbraw/zinc/25/15/70/572251570.db2.gz DCDZBOZBYSWDEO-LMSSTIIKSA-N 1 0 518.583 5.670 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988391 572251637 /nfs/dbraw/zinc/25/16/37/572251637.db2.gz JJRCCTFTUSETBN-HXUWFJFHSA-N 1 0 542.511 5.121 50 0 KKAARO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001087 572251860 /nfs/dbraw/zinc/25/18/60/572251860.db2.gz SNPCNGLWMXRAOE-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056524 572252952 /nfs/dbraw/zinc/25/29/52/572252952.db2.gz CEWAAOKDMKQCRY-RUZDIDTESA-N 1 0 501.074 5.617 50 0 KKAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079232 572253218 /nfs/dbraw/zinc/25/32/18/572253218.db2.gz IKDJTOWLLYGFOD-QFIPXVFZSA-N 1 0 517.471 5.625 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2ccccc2)cc1 ZINC000248111157 572253737 /nfs/dbraw/zinc/25/37/37/572253737.db2.gz NUXSDKUBJGTUSZ-PXJZQJOASA-N 1 0 508.628 7.028 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126167 572254470 /nfs/dbraw/zinc/25/44/70/572254470.db2.gz UWHGQZGOXKYVSK-DEOSSOPVSA-N 1 0 511.645 5.034 50 0 KKAARO COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000248145135 572255386 /nfs/dbraw/zinc/25/53/86/572255386.db2.gz SDMNBEJABAUBGL-NLCLVCPQSA-N 1 0 570.601 5.406 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1C ZINC000248153962 572255798 /nfs/dbraw/zinc/25/57/98/572255798.db2.gz KXGNXBCVZSIKDM-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248249754 572257119 /nfs/dbraw/zinc/25/71/19/572257119.db2.gz RVTLWFPADAOMIX-LSYYVWMOSA-N 1 0 562.598 7.738 50 0 KKAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262279 572257531 /nfs/dbraw/zinc/25/75/31/572257531.db2.gz RCSJLSWMZMUQPD-RBBKRZOGSA-N 1 0 517.471 5.877 50 0 KKAARO CCc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007405 572259783 /nfs/dbraw/zinc/25/97/83/572259783.db2.gz PQYGQNYRYYTAHV-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257109 572260031 /nfs/dbraw/zinc/26/00/31/572260031.db2.gz MXTDDQFIHPJAEE-AREMUKBSSA-N 1 0 539.699 5.678 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+](Cc3ccccc3)[C@H]3CCCC[C@H]3O)cc21 ZINC000252427783 572260426 /nfs/dbraw/zinc/26/04/26/572260426.db2.gz FYFSRXZMCFPCDK-ZSUPJWAMSA-N 1 0 570.730 5.969 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)CC1 ZINC000252511177 572262074 /nfs/dbraw/zinc/26/20/74/572262074.db2.gz DRCOCFDINNOWNZ-FZBZCGEPSA-N 1 0 554.156 5.998 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607351 572300868 /nfs/dbraw/zinc/30/08/68/572300868.db2.gz OSXGUIWLZRQMGJ-SANMLTNESA-N 1 0 600.605 6.301 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607302 572300889 /nfs/dbraw/zinc/30/08/89/572300889.db2.gz JIGQNJSRPRNCGE-NDEPHWFRSA-N 1 0 565.762 5.777 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607333 572300919 /nfs/dbraw/zinc/30/09/19/572300919.db2.gz MPZNZGJJCVCKEU-GDLZYMKVSA-N 1 0 565.762 5.777 50 0 KKAARO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607651 572301058 /nfs/dbraw/zinc/30/10/58/572301058.db2.gz PJDAZNDJWUZZFV-QFIPXVFZSA-N 1 0 531.498 6.762 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616774 572301446 /nfs/dbraw/zinc/30/14/46/572301446.db2.gz DLUUMPUNLQOEHY-DEOSSOPVSA-N 1 0 562.545 5.952 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1)Cc1cccc2ncccc12 ZINC000101369836 1069791376 /nfs/dbraw/zinc/79/13/76/1069791376.db2.gz PFBRQFJSCNUWDC-UHFFFAOYSA-N 1 0 549.675 5.080 50 0 KKAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000101732930 1069819043 /nfs/dbraw/zinc/81/90/43/1069819043.db2.gz MNNXTUKHARLIGL-SVEHJYQDSA-N 1 0 565.636 5.383 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856447 1069820829 /nfs/dbraw/zinc/82/08/29/1069820829.db2.gz ZBIJYGKQNNZRCE-PMERELPUSA-N 1 0 562.758 6.788 50 0 KKAARO CCCCOc1ccc([C@](O)(c2ccccc2)[C@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733252 1069838407 /nfs/dbraw/zinc/83/84/07/1069838407.db2.gz JNILQXKQXROHPY-ZEEKBPLESA-N 1 0 548.771 7.324 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734104 1069836776 /nfs/dbraw/zinc/83/67/76/1069836776.db2.gz XKLRAYLCHHZTLR-FOYYQAIFSA-N 1 0 592.780 6.626 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 ZINC000524733160 1069838496 /nfs/dbraw/zinc/83/84/96/1069838496.db2.gz ZYVRMBMEFVKOIS-ZUBDYPCQSA-N 1 0 562.798 7.519 50 0 KKAARO COc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000524735255 1069839557 /nfs/dbraw/zinc/83/95/57/1069839557.db2.gz LQCWCGOEWWQGLQ-SAIUNTKASA-N 1 0 561.553 7.038 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000409414697 1069847738 /nfs/dbraw/zinc/84/77/38/1069847738.db2.gz UTDYDYSHGQIBTN-CNUHDZQFSA-N 1 0 632.802 5.119 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000409413969 1069848371 /nfs/dbraw/zinc/84/83/71/1069848371.db2.gz MGEQBUMOSKZGTG-LBNVMWSVSA-N 1 0 588.745 5.682 50 0 KKAARO CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000248270229 1069850667 /nfs/dbraw/zinc/85/06/67/1069850667.db2.gz PVORPPZFOCAFCM-JWLWIDMJSA-N 1 0 511.021 6.054 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229163 1069851020 /nfs/dbraw/zinc/85/10/20/1069851020.db2.gz QMOJNCKOGMUTAA-MUUNZHRXSA-N 1 0 545.687 5.984 50 0 KKAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102679402 1069862283 /nfs/dbraw/zinc/86/22/83/1069862283.db2.gz MWCYMGDUCKOUEJ-XJFCNFDWSA-N 1 0 595.744 5.948 50 0 KKAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102684750 1069862419 /nfs/dbraw/zinc/86/24/19/1069862419.db2.gz BXODSLNSFYGULC-IAPPQJPRSA-N 1 0 557.060 5.440 50 0 KKAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102651335 1069861140 /nfs/dbraw/zinc/86/11/40/1069861140.db2.gz ATUOLCFPVVWDRN-UHFFFAOYSA-N 1 0 564.705 5.889 50 0 KKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000102658423 1069861639 /nfs/dbraw/zinc/86/16/39/1069861639.db2.gz SJLPMFGAMSCUAP-QHCPKHFHSA-N 1 0 545.655 5.181 50 0 KKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(Cc2cccn2-c2ncccn2)C3)C1 ZINC000102705210 1069863784 /nfs/dbraw/zinc/86/37/84/1069863784.db2.gz CLVQQVIPTHHZFP-QHCPKHFHSA-N 1 0 544.099 5.703 50 0 KKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H]3C[C@@H](C(=O)NCCc4ccccc4F)N(Cc4cccc(Cl)c4)C3)ccc21 ZINC000102705943 1069864710 /nfs/dbraw/zinc/86/47/10/1069864710.db2.gz PWERZKLIEBIFLT-GVYVVWIYSA-N 1 0 583.151 6.699 50 0 KKAARO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c1 ZINC000102707146 1069865001 /nfs/dbraw/zinc/86/50/01/1069865001.db2.gz MGAATZKLTOUZEY-DGPALRBDSA-N 1 0 550.669 5.404 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1cccc(Cl)c1 ZINC000102709748 1069865247 /nfs/dbraw/zinc/86/52/47/1069865247.db2.gz FSRSQWPFMUKSLM-AHWVRZQESA-N 1 0 533.997 5.590 50 0 KKAARO CCN1c2cc(Cl)ccc2S/C1=C/C1=C(C)/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000685944779 1070946104 /nfs/dbraw/zinc/94/61/04/1070946104.db2.gz WQGUBZAAELNFGI-UHFFFAOYSA-N 1 0 584.296 9.586 50 0 KKAARO CCN1c2ccccc2SC1=CC1=CC(=CC=Cc2cc[n+](CC)c3ccc(SC(F)(F)F)cc23)CC(C)(C)C1 ZINC000685944485 1070941960 /nfs/dbraw/zinc/94/19/60/1070941960.db2.gz QYSZTKGGZXOXMZ-UHFFFAOYSA-N 1 0 579.777 9.944 50 0 KKAARO CCN1c2ccccc2S/C1=C\C1=C2CCCC3=C2[C@@H](CC1)CC/C3=C/c1sc2ccccc2[n+]1CC ZINC000685944424 1070942981 /nfs/dbraw/zinc/94/29/81/1070942981.db2.gz JQIDJPCEJRWZEN-UHFFFAOYSA-N 1 0 523.791 9.047 50 0 KKAARO CC1=C(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)CCC/C1=C/C=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000685944432 1070943144 /nfs/dbraw/zinc/94/31/44/1070943144.db2.gz LHXBCWXIRNNDNG-UHFFFAOYSA-N 1 0 641.925 13.559 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101279325 1070955011 /nfs/dbraw/zinc/95/50/11/1070955011.db2.gz DXJUJHPZLHUSCZ-GGKJBDKJSA-N 1 0 510.593 5.977 50 0 KKAARO O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101279489 1070955040 /nfs/dbraw/zinc/95/50/40/1070955040.db2.gz VWFJUHFVOLVUDC-FJUJMQFGSA-N 1 0 520.585 5.869 50 0 KKAARO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CC[N@H+](CC)C2 ZINC000103004179 1070969075 /nfs/dbraw/zinc/96/90/75/1070969075.db2.gz NLLAMQKGDGFIRS-ULJHMMPZSA-N 1 0 573.671 5.120 50 0 KKAARO COc1ccc(OC)c(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103934979 1070971283 /nfs/dbraw/zinc/97/12/83/1070971283.db2.gz GEHKWNZHBVKLTB-FBKPKIIESA-N 1 0 536.628 5.418 50 0 KKAARO CCOC(=O)C1CCN(C(=O)c2csc(CN(CCC(c3ccccc3)c3ccccc3)Cc3ccc(OCc4ccccc4)cc3)n2)CC1 ZINC000150516751 1070975639 /nfs/dbraw/zinc/97/56/39/1070975639.db2.gz LMBHKRQXJYAKLQ-UHFFFAOYSA-N 1 0 687.906 8.362 50 0 KKAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(C(C)C)C2)c2ccccc12 ZINC000299778697 1071048505 /nfs/dbraw/zinc/04/85/05/1071048505.db2.gz QFPUOJVHVKFIIQ-CUBQBAPOSA-N 1 0 554.657 5.157 50 0 KKAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299790929 1071049691 /nfs/dbraw/zinc/04/96/91/1071049691.db2.gz CFFRKTZGSWZXMG-NAKRPHOHSA-N 1 0 558.595 5.065 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000199288891 1071135643 /nfs/dbraw/zinc/13/56/43/1071135643.db2.gz PERHZHHEFLTHLU-AJQTZOPKSA-N 1 0 570.737 6.246 50 0 KKAARO CC(C)[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1cccn1C)C(=O)NC1CCCCC1 ZINC000575442857 1071142085 /nfs/dbraw/zinc/14/20/85/1071142085.db2.gz GTKOPWCMOMGWLI-GOBOWQCMSA-N 1 0 540.752 5.612 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000011871790 1071232943 /nfs/dbraw/zinc/23/29/43/1071232943.db2.gz PWBOPVMYWAACNQ-UHFFFAOYSA-N 1 0 506.693 5.765 50 0 KKAARO COc1cccc(Cn2c(=O)c(C[NH+]3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)cc3ccc(F)cc32)c1 ZINC000012041186 1071235011 /nfs/dbraw/zinc/23/50/11/1071235011.db2.gz NZVJPHJXPRTDNK-UHFFFAOYSA-N 1 0 540.557 5.700 50 0 KKAARO COc1ccc(CCc2nc3cccnc3n2C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)cc1 ZINC000012151401 1071237783 /nfs/dbraw/zinc/23/77/83/1071237783.db2.gz MDGJZONSJJESCJ-UHFFFAOYSA-N 1 0 505.018 5.444 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000230013775 1071247858 /nfs/dbraw/zinc/24/78/58/1071247858.db2.gz MGTWKXCVRHOFSJ-XMFJDCMESA-N 1 0 554.646 6.457 50 0 KKAARO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014745541 1072891922 /nfs/dbraw/zinc/89/19/22/1072891922.db2.gz HZVGOTIRSMRXAX-ABYGYWHVSA-N 1 0 507.678 5.533 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1 ZINC000014956196 1072892947 /nfs/dbraw/zinc/89/29/47/1072892947.db2.gz PFPYZLSZVXFHHV-UHFFFAOYSA-N 1 0 511.691 6.489 50 0 KKAARO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)c1)Cc1cccc2ccccc21 ZINC000014888252 1072893102 /nfs/dbraw/zinc/89/31/02/1072893102.db2.gz BVYILCIEPYEEEJ-UHFFFAOYSA-N 1 0 511.641 5.448 50 0 KKAARO Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)n(C)n1 ZINC000015068573 1072896446 /nfs/dbraw/zinc/89/64/46/1072896446.db2.gz JDFAUVDBMBBIOF-AREMUKBSSA-N 1 0 536.120 5.168 50 0 KKAARO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000015072617 1072896747 /nfs/dbraw/zinc/89/67/47/1072896747.db2.gz GBLRPVFQOYAYBV-IBGZPJMESA-N 1 0 510.569 5.501 50 0 KKAARO COc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(Br)cc3)CC1)oc(C)c2-c1ccccc1 ZINC000016677713 1072897346 /nfs/dbraw/zinc/89/73/46/1072897346.db2.gz TUWIKDYKYLDXIQ-UHFFFAOYSA-N 1 0 506.440 6.663 50 0 KKAARO O=C(c1ccco1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055089070 1072899119 /nfs/dbraw/zinc/89/91/19/1072899119.db2.gz SJNHBJOHQKCUMK-RUZDIDTESA-N 1 0 508.062 5.719 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1F ZINC000000696173 551527936 /nfs/dbraw/zinc/52/79/36/551527936.db2.gz KDOZVDGLPZNNMR-UHFFFAOYSA-N 1 0 511.638 5.102 50 0 KKAARO Oc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1 ZINC000001566069 551684581 /nfs/dbraw/zinc/68/45/81/551684581.db2.gz UWOVWIIOKHRNKU-UHFFFAOYSA-O 1 0 552.697 10.004 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000001785091 551698892 /nfs/dbraw/zinc/69/88/92/551698892.db2.gz GEDXELBTUMRYLW-UHFFFAOYSA-N 1 0 581.631 8.371 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(C)cccc1C ZINC000001788035 551701119 /nfs/dbraw/zinc/70/11/19/551701119.db2.gz JVXGDZNXWZNKSE-YTTGMZPUSA-N 1 0 518.657 7.186 50 0 biogenic KKAARO c1[nH]c2ccc(OCc3ccccc3)cc2c1CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000001883603 551724897 /nfs/dbraw/zinc/72/48/97/551724897.db2.gz WHKUEIXZUGYODF-UHFFFAOYSA-N 1 0 557.717 9.278 50 0 KKAARO O=C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002157692 551780091 /nfs/dbraw/zinc/78/00/91/551780091.db2.gz QCGKJFANOUDJNU-NYDCQLBNSA-N 1 0 553.106 5.418 50 0 biogenic KKAARO COc1ccccc1N(C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002203037 551793029 /nfs/dbraw/zinc/79/30/29/551793029.db2.gz RJRLQVROPIDMOO-NDEPHWFRSA-N 1 0 530.690 5.262 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCC(C)CC1 ZINC000002204860 551793218 /nfs/dbraw/zinc/79/32/18/551793218.db2.gz UCMLRFCEJFQXEU-UHFFFAOYSA-N 1 0 513.432 5.727 50 0 KKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000002295727 552089079 /nfs/dbraw/zinc/08/90/79/552089079.db2.gz CRLYVRMLZVMLFI-LJAQVGFWSA-N 1 0 516.642 5.141 50 0 KKAARO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002759420 552182002 /nfs/dbraw/zinc/18/20/02/552182002.db2.gz LUNWDGPWPZIJRK-UHFFFAOYSA-N 1 0 514.467 6.367 50 0 KKAARO COc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1COc1ccccc1Br ZINC000002784699 552189711 /nfs/dbraw/zinc/18/97/11/552189711.db2.gz UUEPVNIJFLHEGW-UHFFFAOYSA-N 1 0 563.496 6.125 50 0 KKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000002857252 552202675 /nfs/dbraw/zinc/20/26/75/552202675.db2.gz JYOWYHBLJBCTSL-SANMLTNESA-N 1 0 502.998 5.522 50 0 KKAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1Br ZINC000002917759 552218372 /nfs/dbraw/zinc/21/83/72/552218372.db2.gz PDRKBKMBQMZHLD-ZEQRLZLVSA-N 1 0 505.347 5.401 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)C2=O)c1 ZINC000003061367 552282390 /nfs/dbraw/zinc/28/23/90/552282390.db2.gz RNVGONOUZOXESW-XHLNEMQHSA-N 1 0 511.691 5.891 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062634 552283454 /nfs/dbraw/zinc/28/34/54/552283454.db2.gz GOPSKIDWPPBPST-PFQJNYNCSA-N 1 0 515.654 5.720 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)CC(C)C ZINC000003063419 552284093 /nfs/dbraw/zinc/28/40/93/552284093.db2.gz JYFCXBIQYWLTCW-MNBJERMJSA-N 1 0 559.751 6.850 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3)S4)CC2)c1 ZINC000003063941 552284427 /nfs/dbraw/zinc/28/44/27/552284427.db2.gz VXJTVZNYNYRBHP-BRPDVVIDSA-N 1 0 526.706 5.331 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000003065910 552284660 /nfs/dbraw/zinc/28/46/60/552284660.db2.gz DRCMYZLZFBNQRO-UHFFFAOYSA-N 1 0 523.482 5.591 50 0 KKAARO COc1cc(CC2=[N+](C)CCc3cc(OC)c(OCc4ccccc4)cc32)ccc1OCc1ccccc1 ZINC000003123674 552291366 /nfs/dbraw/zinc/29/13/66/552291366.db2.gz NZLDVBSIUHOMGR-UHFFFAOYSA-N 1 0 508.638 6.092 50 0 KKAARO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003128837 552291910 /nfs/dbraw/zinc/29/19/10/552291910.db2.gz VFXZDANTVDBTHJ-OAQYLSRUSA-N 1 0 538.368 7.075 50 0 KKAARO CC(C)c1ccccc1-n1c(=S)n(CN(C)C2CC[NH+](C)CC2)nc1-c1ccc(Cl)cc1Cl ZINC000003243694 552319704 /nfs/dbraw/zinc/31/97/04/552319704.db2.gz ZSCGZIUMWGXQNY-UHFFFAOYSA-N 1 0 504.531 6.484 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000003352326 552367661 /nfs/dbraw/zinc/36/76/61/552367661.db2.gz HRIXJCRZLCDDNC-UHFFFAOYSA-N 1 0 501.048 5.234 50 0 KKAARO CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CC[N@H+](CC)C2 ZINC000003415110 552382656 /nfs/dbraw/zinc/38/26/56/552382656.db2.gz NNGPRFDQQSRHNR-HMMYKYKNSA-N 1 0 536.053 5.596 50 0 KKAARO COc1ccc(C(OC[C@@H](O)C[N@H+](C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495900 552390373 /nfs/dbraw/zinc/39/03/73/552390373.db2.gz RGXBRPGHYPIBKJ-QHCPKHFHSA-N 1 0 530.459 5.074 50 0 KKAARO CN1C(=O)/C(=C\c2ccccc2F)Sc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000003588409 552392110 /nfs/dbraw/zinc/39/21/10/552392110.db2.gz UPHBAQPHYSVJSX-OVVQPSECSA-N 1 0 501.627 5.330 50 0 KKAARO COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)c1 ZINC000003654707 552403237 /nfs/dbraw/zinc/40/32/37/552403237.db2.gz FTALJVNAMYCLFM-SFQUDFHCSA-N 1 0 509.606 6.535 50 0 KKAARO CC(C)(C)c1cc(Sc2c(F)c(F)nc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2F)cc(C(C)(C)C)c1O ZINC000003771908 552417441 /nfs/dbraw/zinc/41/74/41/552417441.db2.gz VCJWPXJBECCMDA-UHFFFAOYSA-N 1 0 523.709 7.672 50 0 KKAARO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000003842924 552420336 /nfs/dbraw/zinc/42/03/36/552420336.db2.gz UCQSBGOFELXYIN-UHFFFAOYSA-N 1 0 667.738 6.522 50 0 investigational KKAARO CCC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=c1/sc(=CC2=[N+](CC)[C@H](c3ccccc3)[C@H](c3ccccc3)S2)n(CC)c1=O ZINC000004558551 552467227 /nfs/dbraw/zinc/46/72/27/552467227.db2.gz SQIMUGTUWIVRPF-IZJRFOFESA-N 1 0 679.013 8.284 50 0 KKAARO CCCn1c(=O)/c(=C/C(=C/[C@H]2Sc3ccccc3N2CC)OCC)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000004558558 552467232 /nfs/dbraw/zinc/46/72/32/552467232.db2.gz UGFRXFCVCXOQJV-XPHHRCDASA-N 1 0 666.958 7.511 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762170 552479080 /nfs/dbraw/zinc/47/90/80/552479080.db2.gz DQAPJJCFGHYTCM-MHZLTWQESA-N 1 0 598.119 5.161 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166789 552556863 /nfs/dbraw/zinc/55/68/63/552556863.db2.gz KYQGKHZZOGGQJL-UHFFFAOYSA-N 1 0 602.049 8.716 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006166828 552557175 /nfs/dbraw/zinc/55/71/75/552557175.db2.gz BJUUIRXHRZNZBA-UHFFFAOYSA-N 1 0 604.021 8.107 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166866 552557467 /nfs/dbraw/zinc/55/74/67/552557467.db2.gz AULHWJWIVJEJCO-UHFFFAOYSA-N 1 0 623.712 9.360 50 0 KKAARO CC[NH+](CC)C[C@@H](O)CO[C@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000008398896 553000058 /nfs/dbraw/zinc/00/00/58/553000058.db2.gz SGZKVAGYMSSVIL-LOYHVIPDSA-N 1 0 521.705 6.721 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCC1 ZINC000008448360 553055952 /nfs/dbraw/zinc/05/59/52/553055952.db2.gz DRVRSGNPQJRSMD-CQSZACIVSA-N 1 0 531.086 5.539 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000008591357 553082475 /nfs/dbraw/zinc/08/24/75/553082475.db2.gz UWOISKIAQMNKSU-UHFFFAOYSA-N 1 0 518.013 6.789 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21)Cc1ccccc1 ZINC000008595337 553088793 /nfs/dbraw/zinc/08/87/93/553088793.db2.gz QVJPNWURHQBIHB-UHFFFAOYSA-N 1 0 526.681 6.418 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000008749364 553134905 /nfs/dbraw/zinc/13/49/05/553134905.db2.gz OICWGDKCYXFDBU-KAODMTDESA-N 1 0 592.784 6.747 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)nc2cc1Br ZINC000008911687 553184234 /nfs/dbraw/zinc/18/42/34/553184234.db2.gz SIIDFNGFNGSHSD-KRWDZBQOSA-N 1 0 523.541 5.055 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913753 553185586 /nfs/dbraw/zinc/18/55/86/553185586.db2.gz BVOOPKBVVJXUJV-UHFFFAOYSA-N 1 0 505.663 5.373 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000008923393 553190527 /nfs/dbraw/zinc/19/05/27/553190527.db2.gz MDJLTDUZXUOZDK-XMMPIXPASA-N 1 0 509.603 5.701 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000009359007 553247937 /nfs/dbraw/zinc/24/79/37/553247937.db2.gz ZDUYNZXUTJDJHX-OFAQMXQXSA-N 1 0 526.339 8.336 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H]1c1cccs1 ZINC000009432861 553262668 /nfs/dbraw/zinc/26/26/68/553262668.db2.gz WCEJDJPKEQUXHF-VSGBNLITSA-N 1 0 517.695 5.546 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)c1 ZINC000009433210 553262972 /nfs/dbraw/zinc/26/29/72/553262972.db2.gz XPCXWNGNEWFXIT-KYJUHHDHSA-N 1 0 529.750 6.022 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000009433326 553263065 /nfs/dbraw/zinc/26/30/65/553263065.db2.gz JHWNGRAWSBQZHE-VMPREFPWSA-N 1 0 517.739 6.102 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433226 553263080 /nfs/dbraw/zinc/26/30/80/553263080.db2.gz YDXBHKORPNXBLF-NSOVKSMOSA-N 1 0 501.696 5.249 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H]1c1cccs1 ZINC000009433308 553263143 /nfs/dbraw/zinc/26/31/43/553263143.db2.gz SOBKELACTROAIH-URLMMPGGSA-N 1 0 515.723 6.555 50 0 KKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433693 553263324 /nfs/dbraw/zinc/26/33/24/553263324.db2.gz HPUUZLKCBMJUKJ-URLMMPGGSA-N 1 0 531.722 6.125 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433569 553263352 /nfs/dbraw/zinc/26/33/52/553263352.db2.gz DREGXDDIMRKLTI-URLMMPGGSA-N 1 0 513.707 5.752 50 0 KKAARO Cc1nn2c(nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000009609450 553287938 /nfs/dbraw/zinc/28/79/38/553287938.db2.gz HYSYRJIIAJWGRR-UHFFFAOYSA-N 1 0 527.688 5.464 50 0 KKAARO COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)n2n1 ZINC000009609750 553288151 /nfs/dbraw/zinc/28/81/51/553288151.db2.gz KDQDVLMAXVCZPN-UHFFFAOYSA-N 1 0 525.697 5.025 50 0 KKAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccc(C)cc4)c3C)cc2)CC1 ZINC000009610227 553288305 /nfs/dbraw/zinc/28/83/05/553288305.db2.gz FKHSLDMUBGDTEQ-UHFFFAOYSA-N 1 0 510.686 5.367 50 0 KKAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cc(C)nc4c3c(C)nn4-c3ccc(C)cc3)CC2)cc1 ZINC000009610450 553288494 /nfs/dbraw/zinc/28/84/94/553288494.db2.gz SEWVRVWOTUKMRU-UHFFFAOYSA-N 1 0 511.670 5.039 50 0 KKAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678427 553295578 /nfs/dbraw/zinc/29/55/78/553295578.db2.gz WZULQBKVBQIHAD-UHFFFAOYSA-N 1 0 512.050 5.862 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3C4=C(CCCC4)C(=O)N3C[C@@H]3CCCO3)CCC[C@]21C ZINC000009678884 553295741 /nfs/dbraw/zinc/29/57/41/553295741.db2.gz BEEWXJLOUGNKKP-PUBSWHNPSA-N 1 0 504.759 6.628 50 0 KKAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009775996 553304753 /nfs/dbraw/zinc/30/47/53/553304753.db2.gz OFVGSSADIQRIDX-IHLOFXLRSA-N 1 0 517.714 5.547 50 0 KKAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836114 553310476 /nfs/dbraw/zinc/31/04/76/553310476.db2.gz CBKPNMDLZXYGLC-XZWHSSHBSA-N 1 0 531.672 5.553 50 0 KKAARO COc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2cc1OC ZINC000010068315 553327846 /nfs/dbraw/zinc/32/78/46/553327846.db2.gz GZBWXPKYCDZWBQ-UHFFFAOYSA-N 1 0 503.624 5.143 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012037633 553350466 /nfs/dbraw/zinc/35/04/66/553350466.db2.gz TZOZTUWVJXSDRW-UHFFFAOYSA-N 1 0 524.683 5.905 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1)Cc1cccc2cccnc21 ZINC000012151266 553352487 /nfs/dbraw/zinc/35/24/87/553352487.db2.gz HBBHKOAZCVXDBH-MUUNZHRXSA-N 1 0 533.676 5.978 50 0 KKAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](CC(c4ccccc4)c4ccccc4)CC3)c2C1=O ZINC000012149702 553352496 /nfs/dbraw/zinc/35/24/96/553352496.db2.gz MIVPDCFSAGZUOC-JOCHJYFZSA-N 1 0 522.674 5.454 50 0 KKAARO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2cccc(C[N@@H+](C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151868 553352509 /nfs/dbraw/zinc/35/25/09/553352509.db2.gz ITONSCGIAQEFFE-AREMUKBSSA-N 1 0 512.654 5.332 50 0 KKAARO CCOc1ccc(CN2CC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H](CCC(=O)OC)C2)cc1 ZINC000012211739 553354300 /nfs/dbraw/zinc/35/43/00/553354300.db2.gz KHYANIWVWNCNBY-WNCULLNHSA-N 1 0 533.635 5.070 50 0 KKAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283408 553356356 /nfs/dbraw/zinc/35/63/56/553356356.db2.gz PWEBFBBPJVDRHP-QHCPKHFHSA-N 1 0 527.694 5.126 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(Cl)c2n1 ZINC000012371790 553360517 /nfs/dbraw/zinc/36/05/17/553360517.db2.gz YQUBJXHYUXOILP-CRAIPNDOSA-N 1 0 522.955 5.498 50 0 KKAARO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c(Cl)c3n2)c1 ZINC000012371608 553360530 /nfs/dbraw/zinc/36/05/30/553360530.db2.gz FWOKAQXKGWTQAU-VQIMIIECSA-N 1 0 522.955 5.498 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(Cl)c2n1 ZINC000012371789 553360544 /nfs/dbraw/zinc/36/05/44/553360544.db2.gz YQUBJXHYUXOILP-MAUKXSAKSA-N 1 0 522.955 5.498 50 0 KKAARO C[C@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012498110 553382012 /nfs/dbraw/zinc/38/20/12/553382012.db2.gz QTFXBQOZVSBZQK-JPQMRUPTSA-N 1 0 517.698 7.586 50 0 KKAARO C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012498115 553382020 /nfs/dbraw/zinc/38/20/20/553382020.db2.gz QTFXBQOZVSBZQK-HEIROHQZSA-N 1 0 517.698 7.586 50 0 KKAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012600323 553401452 /nfs/dbraw/zinc/40/14/52/553401452.db2.gz YJUXMKPPZOKJNL-XMMPIXPASA-N 1 0 501.454 5.291 50 0 KKAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)cc1 ZINC000012642514 553408543 /nfs/dbraw/zinc/40/85/43/553408543.db2.gz YORRTVYDYBMZFM-UHFFFAOYSA-N 1 0 529.616 5.011 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000013532792 553469526 /nfs/dbraw/zinc/46/95/26/553469526.db2.gz VNENYALQPUMAJD-NRFANRHFSA-N 1 0 507.270 5.621 50 0 KKAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013598672 553477437 /nfs/dbraw/zinc/47/74/37/553477437.db2.gz JJINAXBECLNREN-UHFFFAOYSA-N 1 0 512.448 5.390 50 0 KKAARO O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014976012 553523214 /nfs/dbraw/zinc/52/32/14/553523214.db2.gz GMPNYXMBQXJTTB-MHZLTWQESA-N 1 0 500.658 6.065 50 0 KKAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319717 553531706 /nfs/dbraw/zinc/53/17/06/553531706.db2.gz SMXGJCRSRYGRBF-XZNUUDFLSA-N 1 0 531.598 5.409 50 0 KKAARO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c(Cl)c3n2)c1 ZINC000015319151 553531787 /nfs/dbraw/zinc/53/17/87/553531787.db2.gz FWOKAQXKGWTQAU-LPHOPBHVSA-N 1 0 522.955 5.498 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnn2-c2ccccc2)CC1 ZINC000015936389 553542797 /nfs/dbraw/zinc/54/27/97/553542797.db2.gz PVDREUDYAPZUNC-UHFFFAOYSA-N 1 0 521.706 5.077 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947050 553545114 /nfs/dbraw/zinc/54/51/14/553545114.db2.gz KGTJJLUNRVXIFE-JOCHJYFZSA-N 1 0 516.450 6.470 50 0 KKAARO c1ccc([C@H]2CC(c3ccc(C4=NN(c5ccccc5)[C@H](c5ccccc5)C4)cc3)=[NH+]N2c2ccccc2)cc1 ZINC000016671566 553571449 /nfs/dbraw/zinc/57/14/49/553571449.db2.gz HUDFQTTYMSMMGU-TYHGNQNSSA-N 1 0 518.664 8.398 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000016687774 553572682 /nfs/dbraw/zinc/57/26/82/553572682.db2.gz SMUCHXHWCDOYKZ-UHFFFAOYSA-N 1 0 508.018 5.100 50 0 KKAARO O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)C[N@H+](CCc1ccccc1)CC3 ZINC000020123583 553590929 /nfs/dbraw/zinc/59/09/29/553590929.db2.gz VFPAIDHXFQBDRT-UHFFFAOYSA-N 1 0 509.700 6.340 50 0 KKAARO C[C@@H](O)C[NH+]1CCC(CN(Cc2coc(-c3ccc(F)cc3)n2)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000069926643 553593613 /nfs/dbraw/zinc/59/36/13/553593613.db2.gz ARUWXZIZWBPGST-HXUWFJFHSA-N 1 0 522.596 5.370 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000018195280 553608656 /nfs/dbraw/zinc/60/86/56/553608656.db2.gz JHQUZZVMMXLZMZ-FQEVSTJZSA-N 1 0 512.846 6.112 50 0 KKAARO CCCOc1ccc([C@H]2CN3C(=O)CN(C4CC(C)(C)[NH2+]C(C)(C)C4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070700339 553618233 /nfs/dbraw/zinc/61/82/33/553618233.db2.gz XPRWXYBZAYHDAO-ZWVRTZEQSA-N 1 0 572.750 5.306 50 0 biogenic KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000020242443 553627278 /nfs/dbraw/zinc/62/72/78/553627278.db2.gz TXTASJUTNZLQPO-QNGWXLTQSA-N 1 0 521.658 5.005 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242701 553627792 /nfs/dbraw/zinc/62/77/92/553627792.db2.gz QRYDFPQVLUNFAK-CCPAGJRDSA-N 1 0 529.706 5.235 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O ZINC000020242707 553627850 /nfs/dbraw/zinc/62/78/50/553627850.db2.gz GFPJRCCIANUZAV-LHEWISCISA-N 1 0 531.722 5.482 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355182 553640774 /nfs/dbraw/zinc/64/07/74/553640774.db2.gz BMBBLCRLDKOXOA-FEZSWGLMSA-N 1 0 539.720 6.594 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3)C2=O)c1 ZINC000020355175 553640826 /nfs/dbraw/zinc/64/08/26/553640826.db2.gz HBWDFIWPAQQHHE-UZWMFBFFSA-N 1 0 539.720 6.306 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000020355324 553641399 /nfs/dbraw/zinc/64/13/99/553641399.db2.gz BRSRTTCMLCASBM-QJEDIVLFSA-N 1 0 537.704 6.060 50 0 KKAARO CC[C@@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020386552 553644029 /nfs/dbraw/zinc/64/40/29/553644029.db2.gz BWHDYMIKMBCTFH-HXUWFJFHSA-N 1 0 501.494 6.261 50 0 KKAARO Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc32)cc1 ZINC000020385981 553644154 /nfs/dbraw/zinc/64/41/54/553644154.db2.gz IBQMJHBJFYALLA-UHFFFAOYSA-N 1 0 516.711 6.056 50 0 KKAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411425 553646272 /nfs/dbraw/zinc/64/62/72/553646272.db2.gz FGXQERORDNVKRX-ZVLGWSDASA-N 1 0 535.128 5.332 50 0 biogenic KKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412835 553647402 /nfs/dbraw/zinc/64/74/02/553647402.db2.gz GTWYLOFMZBQMMT-FDCUTXSFSA-N 1 0 520.664 6.130 50 0 biogenic KKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000020478358 553657328 /nfs/dbraw/zinc/65/73/28/553657328.db2.gz FAZATNQAGSHZRT-UHFFFAOYSA-N 1 0 508.069 6.578 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)c1-c1ccccc1 ZINC000020478143 553657453 /nfs/dbraw/zinc/65/74/53/553657453.db2.gz UGFHHZXQAIKGHR-UHFFFAOYSA-N 1 0 503.694 6.786 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000079183281 553666373 /nfs/dbraw/zinc/66/63/73/553666373.db2.gz FUZMQNZACIFDBL-IHLOFXLRSA-N 1 0 652.788 7.171 50 0 biogenic,in-vitro KKAARO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1-c1ccccc1 ZINC000079190716 553667698 /nfs/dbraw/zinc/66/76/98/553667698.db2.gz AOHBYGLKVBFOHN-RBJSKKJNSA-N 1 0 526.677 6.445 50 0 biogenic KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079194274 553669268 /nfs/dbraw/zinc/66/92/68/553669268.db2.gz XVXNJUKXGMYQSQ-RBISFHTESA-N 1 0 547.095 6.790 50 0 biogenic KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612096 553679722 /nfs/dbraw/zinc/67/97/22/553679722.db2.gz UPYWLQWRUNUSPT-WRZLIUBLSA-N 1 0 517.113 6.281 50 0 biogenic KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000085888966 553690362 /nfs/dbraw/zinc/69/03/62/553690362.db2.gz WSLYRMOORJFTQF-SSEXGKCCSA-N 1 0 727.291 8.857 50 0 biogenic KKAARO CCC[NH+](CCC)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020728193 553691273 /nfs/dbraw/zinc/69/12/73/553691273.db2.gz JHVAVZWSWARZKY-MOHJPFBDSA-N 1 0 519.633 5.814 50 0 KKAARO CCc1cccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000020733232 553692926 /nfs/dbraw/zinc/69/29/26/553692926.db2.gz KADIXQVTAQQOLB-UHFFFAOYSA-N 1 0 537.217 7.606 50 0 KKAARO Cc1ccccc1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733219 553692973 /nfs/dbraw/zinc/69/29/73/553692973.db2.gz FMMMTFBBNWGQQP-UHFFFAOYSA-N 1 0 523.190 7.352 50 0 KKAARO CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3N(C)C2=O)cc1OC ZINC000020736059 553693806 /nfs/dbraw/zinc/69/38/06/553693806.db2.gz JNFNMCMRLZTKHR-TURZUDJPSA-N 1 0 535.710 5.294 50 0 KKAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)cc1OC ZINC000020736486 553693965 /nfs/dbraw/zinc/69/39/65/553693965.db2.gz SGOSNJVTNSJCMG-JFLMPSFJSA-N 1 0 525.715 5.523 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1cccc(Br)c1 ZINC000089968973 553694835 /nfs/dbraw/zinc/69/48/35/553694835.db2.gz SEDMCMKNSSIVQA-OAQYLSRUSA-N 1 0 507.270 5.621 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000021161373 553708128 /nfs/dbraw/zinc/70/81/28/553708128.db2.gz SCWTYNCFUUQFSR-QLVXXPONSA-N 1 0 512.764 5.514 50 0 KKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162389 553708620 /nfs/dbraw/zinc/70/86/20/553708620.db2.gz KSSDXBHYCAEREA-DHIUTWEWSA-N 1 0 505.682 5.209 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742839 553712428 /nfs/dbraw/zinc/71/24/28/553712428.db2.gz NFKZAYGAZSLISU-RDXDNIQESA-N 1 0 767.400 8.019 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000021780852 553716495 /nfs/dbraw/zinc/71/64/95/553716495.db2.gz NOLXMBAQGGRIEN-BURCIIJTSA-N 1 0 508.707 5.170 50 0 KKAARO COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000021992261 553722613 /nfs/dbraw/zinc/72/26/13/553722613.db2.gz RVGUTXYKHMDBPX-ZOYWYXQUSA-N 1 0 524.661 6.009 50 0 KKAARO CCOC(=O)c1c(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)sc(Br)c1-c1ccccc1 ZINC000022037697 553723299 /nfs/dbraw/zinc/72/32/99/553723299.db2.gz JDWXXGVRTHXOHP-LJQANCHMSA-N 1 0 530.488 5.185 50 0 KKAARO CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)Cc2ccccc2)cc1 ZINC000096211464 553729908 /nfs/dbraw/zinc/72/99/08/553729908.db2.gz GNECLRPNEPWQFN-UHFFFAOYSA-N 1 0 523.681 5.234 50 0 KKAARO Cn1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275531 553732531 /nfs/dbraw/zinc/73/25/31/553732531.db2.gz PGNJGTPMHZSYHS-HHHXNRCGSA-N 1 0 502.058 6.358 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)occ3-c1ccc(F)cc1 ZINC000096343548 553752574 /nfs/dbraw/zinc/75/25/74/553752574.db2.gz NKGBULQLZAQTFL-FQRUVTKNSA-N 1 0 502.586 5.577 50 0 KKAARO CC(C)[NH2+]C[C@@H](O)CO[C@@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000096580072 553756099 /nfs/dbraw/zinc/75/60/99/553756099.db2.gz QDVQRNIBPWUUKM-WDYNHAJCSA-N 1 0 507.678 6.377 50 0 KKAARO CC(C)[NH2+]C[C@H](O)CO[C@@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000096580070 553756106 /nfs/dbraw/zinc/75/61/06/553756106.db2.gz QDVQRNIBPWUUKM-VMPREFPWSA-N 1 0 507.678 6.377 50 0 KKAARO O=S(=O)(NC[C@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022864438 553763158 /nfs/dbraw/zinc/76/31/58/553763158.db2.gz UPRHHAKSNYNSRQ-SSEXGKCCSA-N 1 0 546.136 5.767 50 0 KKAARO CC(C)OC(=O)c1c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)sc2c1CCCC2 ZINC000022940553 553768481 /nfs/dbraw/zinc/76/84/81/553768481.db2.gz RBKLGIVOCWJDHS-UHFFFAOYSA-N 1 0 531.722 5.538 50 0 KKAARO C(c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000023230271 553771589 /nfs/dbraw/zinc/77/15/89/553771589.db2.gz RIZPDTYDUZWTAO-UHFFFAOYSA-N 1 0 509.719 10.576 50 0 KKAARO O=C(CCC1CCCC1)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023336588 553774473 /nfs/dbraw/zinc/77/44/73/553774473.db2.gz UZEBAGAVWRJBDP-UHFFFAOYSA-N 1 0 512.620 6.460 50 0 KKAARO C[N@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12)C1CCCCC1 ZINC000023446595 553780594 /nfs/dbraw/zinc/78/05/94/553780594.db2.gz GTYDDGSQRFVMFM-UHFFFAOYSA-N 1 0 511.510 7.265 50 0 KKAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12)CC1CC1 ZINC000023446507 553780606 /nfs/dbraw/zinc/78/06/06/553780606.db2.gz ABMXDUOYIJKINV-UHFFFAOYSA-N 1 0 511.510 7.122 50 0 KKAARO Fc1cccc(-c2cccc(-c3nc(C[NH+]4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cs3)c2)c1 ZINC000025150389 553796465 /nfs/dbraw/zinc/79/64/65/553796465.db2.gz WGUZDFPLUPUBJC-UHFFFAOYSA-N 1 0 510.600 8.090 50 0 KKAARO COc1ccc(-c2cccc(-c3nc(C[NH+]4CCC(c5ccccc5)CC4)cs3)c2)c(OC)c1OC ZINC000025155340 553798480 /nfs/dbraw/zinc/79/84/80/553798480.db2.gz MQPUMYSSIBCERT-UHFFFAOYSA-N 1 0 500.664 6.883 50 0 KKAARO c1nn(-c2ccccc2)c2nc(N3CCCCC3)nc(N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)c12 ZINC000025809863 553814503 /nfs/dbraw/zinc/81/45/03/553814503.db2.gz DKUUIWDCRSCZPH-UHFFFAOYSA-N 1 0 527.676 5.698 50 0 KKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1Cl ZINC000027585512 553835570 /nfs/dbraw/zinc/83/55/70/553835570.db2.gz ZXEDTXFGMKTIOA-UHFFFAOYSA-N 1 0 512.057 6.021 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000028464486 553842279 /nfs/dbraw/zinc/84/22/79/553842279.db2.gz LUBFNFJQCHSSLK-JGCGQSQUSA-N 1 0 520.761 8.612 50 0 KKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000028641396 553843402 /nfs/dbraw/zinc/84/34/02/553843402.db2.gz FRFJJDVKAIXDGI-XMMPIXPASA-N 1 0 527.974 5.398 50 0 KKAARO COc1ccc(C(=O)Nc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000029747347 553846995 /nfs/dbraw/zinc/84/69/95/553846995.db2.gz DHVVTTMKURFHSW-OFSOJUDTSA-N 1 0 631.777 5.127 50 0 KKAARO COc1cccc(OCC[NH+]2CCN(c3cc(C(C)(C)C)nc4c(-c5ccc(F)cc5)c(C)nn43)CC2)c1 ZINC000032929407 553876528 /nfs/dbraw/zinc/87/65/28/553876528.db2.gz GZNVZFHOMCERBY-UHFFFAOYSA-N 1 0 517.649 5.351 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963437 553890146 /nfs/dbraw/zinc/89/01/46/553890146.db2.gz JBKLBISDNLPOGE-UHFFFAOYSA-N 1 0 628.845 6.791 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963432 553890240 /nfs/dbraw/zinc/89/02/40/553890240.db2.gz XXRQHMQVTGWIBR-UHFFFAOYSA-N 1 0 594.828 6.464 50 0 KKAARO O[C@@H](COc1ccccc1)CN(CC[N@H+](C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353344 553924812 /nfs/dbraw/zinc/92/48/12/553924812.db2.gz BMNASIGFPCNXFN-ZRKBJOGQSA-N 1 0 692.900 8.049 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c3c(c(-c4ccccc4)nn3-c3ccccc3)c2n(C)c1C[NH+](CC)CC ZINC000033353759 553926744 /nfs/dbraw/zinc/92/67/44/553926744.db2.gz VPBXYQSKMUDHRC-UHFFFAOYSA-N 1 0 538.648 6.128 50 0 KKAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356770 553944236 /nfs/dbraw/zinc/94/42/36/553944236.db2.gz KWSJJVDGRSPSGS-CDZUIXILSA-N 1 0 591.152 5.170 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000033357125 553946812 /nfs/dbraw/zinc/94/68/12/553946812.db2.gz OYNHGJANVTVAOH-WJOKGBTCSA-N 1 0 602.776 5.900 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2=S)cc1 ZINC000033357128 553946864 /nfs/dbraw/zinc/94/68/64/553946864.db2.gz KZXRSFMJXDEGOU-YTTGMZPUSA-N 1 0 670.832 5.326 50 0 KKAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000033357170 553947129 /nfs/dbraw/zinc/94/71/29/553947129.db2.gz GEZMLSAFIYHVGC-UHFFFAOYSA-N 1 0 559.151 5.188 50 0 KKAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033357256 553947543 /nfs/dbraw/zinc/94/75/43/553947543.db2.gz XAWWKJZIFXZXII-JSOSNVBQSA-N 1 0 543.683 5.698 50 0 KKAARO C[N@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=S)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000033357428 553948004 /nfs/dbraw/zinc/94/80/04/553948004.db2.gz NNNJXZBSVUYLBF-UHFFFAOYSA-N 1 0 545.143 7.322 50 0 KKAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000033357440 553948034 /nfs/dbraw/zinc/94/80/34/553948034.db2.gz BNLCJXLASIINLB-JNWIWMBKSA-N 1 0 532.109 6.263 50 0 KKAARO CCCCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C\C=C\C1=[N+](CCCC)c2ccc3ccccc3c2C1(C)C ZINC000097970764 553958291 /nfs/dbraw/zinc/95/82/91/553958291.db2.gz SORHCADBVMWFOE-UHFFFAOYSA-N 1 0 567.841 10.764 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429024 553959802 /nfs/dbraw/zinc/95/98/02/553959802.db2.gz DMBVCXJRXPFFAC-IAPPQJPRSA-N 1 0 505.449 5.649 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2C)o1 ZINC000033516389 553961553 /nfs/dbraw/zinc/96/15/53/553961553.db2.gz XOGWQEAGHYOXDR-UHFFFAOYSA-N 1 0 501.671 5.096 50 0 KKAARO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)COc1nc(SCc2ccc(F)cc2)nc2c1CCC2 ZINC000097972386 553967127 /nfs/dbraw/zinc/96/71/27/553967127.db2.gz KELIVYXNVITYCV-UHFFFAOYSA-N 1 0 666.785 7.832 50 0 KKAARO CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C[NH+]2CCCC2)c1 ZINC000097973074 553968256 /nfs/dbraw/zinc/96/82/56/553968256.db2.gz CLTWNWVTOBHGEJ-UWXQCODUSA-N 1 0 589.820 8.985 50 0 KKAARO CCCSc1ccccc1N1CC[NH+](CCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000097973090 553968286 /nfs/dbraw/zinc/96/82/86/553968286.db2.gz NYRLRMSIBFBCPS-UHFFFAOYSA-N 1 0 542.749 5.587 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)cc2)o1 ZINC000033696871 553968877 /nfs/dbraw/zinc/96/88/77/553968877.db2.gz VIEUADDCUHTTJC-UHFFFAOYSA-N 1 0 508.062 5.051 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671851 553982419 /nfs/dbraw/zinc/98/24/19/553982419.db2.gz JGCONOBZURGCRR-BNHRFMORSA-N 1 0 508.637 6.366 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671779 553982551 /nfs/dbraw/zinc/98/25/51/553982551.db2.gz NUKYPGXWXORPRV-NOCHOARKSA-N 1 0 518.701 6.925 50 0 KKAARO O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685562 553986964 /nfs/dbraw/zinc/98/69/64/553986964.db2.gz CXPHXTMJGUBBCI-GMCHKSTQSA-N 1 0 522.645 5.915 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697680 553991125 /nfs/dbraw/zinc/99/11/25/553991125.db2.gz BFUDEVFTBRJZIS-HOFKKMOUSA-N 1 0 511.563 5.523 50 0 KKAARO Cc1ccc(C(=O)N(C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698698 553991483 /nfs/dbraw/zinc/99/14/83/553991483.db2.gz AVKSALOHMDYIGJ-LEAFIULHSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000034729561 553997027 /nfs/dbraw/zinc/99/70/27/553997027.db2.gz QLMINIUNKRJGMU-UHFFFAOYSA-N 1 0 519.089 5.267 50 0 KKAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4ccccc4Cl)CC3)CC2)c1 ZINC000034730214 553997323 /nfs/dbraw/zinc/99/73/23/553997323.db2.gz IIUPGJOWGMBFQT-UHFFFAOYSA-N 1 0 519.089 5.394 50 0 KKAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000034729884 553997400 /nfs/dbraw/zinc/99/74/00/553997400.db2.gz HWAMLIWDZKKKGS-UHFFFAOYSA-N 1 0 508.062 5.413 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830124 554014440 /nfs/dbraw/zinc/01/44/40/554014440.db2.gz JPOOTSDVFNVPJE-ZTOMLWHTSA-N 1 0 501.696 5.021 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830247 554014720 /nfs/dbraw/zinc/01/47/20/554014720.db2.gz MIOIMFUAKFSCJR-OUTSHDOLSA-N 1 0 509.760 5.671 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830387 554015747 /nfs/dbraw/zinc/01/57/47/554015747.db2.gz GLOXOEOMNNNGES-FIPFOOKPSA-N 1 0 501.696 5.076 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(C)cc1 ZINC000034832199 554018005 /nfs/dbraw/zinc/01/80/05/554018005.db2.gz MNLGMWWRHQKHFP-QFIPXVFZSA-N 1 0 506.670 5.603 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccc2ccccc2c1 ZINC000034834658 554018937 /nfs/dbraw/zinc/01/89/37/554018937.db2.gz ZFIJVSPMOYECEH-UHFFFAOYSA-N 1 0 509.698 5.774 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835173 554019536 /nfs/dbraw/zinc/01/95/36/554019536.db2.gz VHHRLJNMCQKKND-UHFFFAOYSA-N 1 0 525.697 5.155 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000034835710 554019999 /nfs/dbraw/zinc/01/99/99/554019999.db2.gz DQLJIWFBUGXGTO-UHFFFAOYSA-N 1 0 533.736 6.199 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)Nc1ccc(C)cc1)C(C)C ZINC000034835888 554020356 /nfs/dbraw/zinc/02/03/56/554020356.db2.gz LMIYFOFLYBXWAV-UHFFFAOYSA-N 1 0 506.670 5.601 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397216 554048142 /nfs/dbraw/zinc/04/81/42/554048142.db2.gz PERCDTZFHDCAAO-UHFFFAOYSA-N 1 0 519.896 5.488 50 0 KKAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000098000468 554051308 /nfs/dbraw/zinc/05/13/08/554051308.db2.gz XHOMBRWOUYLKAD-HSZRJFAPSA-N 1 0 656.390 7.332 50 0 KKAARO Cc1ccc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003540 554054737 /nfs/dbraw/zinc/05/47/37/554054737.db2.gz QIOMEZZNUTWCQZ-MJVKXCJRSA-N 1 0 623.222 6.681 50 0 KKAARO Cc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003537 554054796 /nfs/dbraw/zinc/05/47/96/554054796.db2.gz QIOMEZZNUTWCQZ-RGJYROARSA-N 1 0 623.222 6.681 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1OC ZINC000098005100 554056897 /nfs/dbraw/zinc/05/68/97/554056897.db2.gz CDRISLIZTXQXLD-UHFFFAOYSA-N 1 0 569.628 5.159 50 0 KKAARO O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005763 554058235 /nfs/dbraw/zinc/05/82/35/554058235.db2.gz KTDVPYJNXXCJQB-UHFFFAOYSA-N 1 0 542.671 5.466 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000098009756 554070830 /nfs/dbraw/zinc/07/08/30/554070830.db2.gz ADWYSNHFZBIESM-SUYBVONHSA-N 1 0 544.183 7.800 50 0 KKAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768432 554072171 /nfs/dbraw/zinc/07/21/71/554072171.db2.gz MLWWAWTWTGLEJI-LJAQVGFWSA-N 1 0 529.656 5.580 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)cc2)o1 ZINC000035809325 554078026 /nfs/dbraw/zinc/07/80/26/554078026.db2.gz WJOLUNJHYWMNPF-UHFFFAOYSA-N 1 0 522.089 5.441 50 0 KKAARO CC(C)(C)c1ccc(Cn2cccc2C[N@H+](C[C@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840717 554080398 /nfs/dbraw/zinc/08/03/98/554080398.db2.gz DSDCJVXYGNFFOM-YTTGMZPUSA-N 1 0 502.743 6.794 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842603 554081116 /nfs/dbraw/zinc/08/11/16/554081116.db2.gz HZKZHBPVVRKOIZ-PMERELPUSA-N 1 0 521.746 5.392 50 0 KKAARO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035891979 554090904 /nfs/dbraw/zinc/09/09/04/554090904.db2.gz FOQDGKPFGJLQIQ-XMMPIXPASA-N 1 0 506.477 6.778 50 0 KKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908058 554092340 /nfs/dbraw/zinc/09/23/40/554092340.db2.gz XCNDMYKLQOKWQU-AHWVRZQESA-N 1 0 513.629 5.031 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908389 554092929 /nfs/dbraw/zinc/09/29/29/554092929.db2.gz BMPNQBNGOGICRK-YKSBVNFPSA-N 1 0 501.637 6.898 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908387 554092980 /nfs/dbraw/zinc/09/29/80/554092980.db2.gz BMPNQBNGOGICRK-RDPSFJRHSA-N 1 0 501.637 6.898 50 0 KKAARO O=C(NCc1ccncc1)c1ccc(CSc2nc(N3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015113 554095775 /nfs/dbraw/zinc/09/57/75/554095775.db2.gz UOOKOLVUONJUOI-UHFFFAOYSA-N 1 0 568.625 5.028 50 0 KKAARO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@H+](Cc3cc(OC)ccc3OC)CC2)n1 ZINC000035924696 554097105 /nfs/dbraw/zinc/09/71/05/554097105.db2.gz TVKVYQZRMUSTDF-UHFFFAOYSA-N 1 0 514.674 5.196 50 0 KKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000035927823 554101167 /nfs/dbraw/zinc/10/11/67/554101167.db2.gz DXIVBQYANQXURI-UHFFFAOYSA-N 1 0 502.666 5.735 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098019702 554114174 /nfs/dbraw/zinc/11/41/74/554114174.db2.gz ZGRVQOHLGXJHQI-UHFFFAOYSA-N 1 0 616.586 6.112 50 0 KKAARO CCOC(=O)CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020074 554116558 /nfs/dbraw/zinc/11/65/58/554116558.db2.gz GGSRVBGQXWSWJL-UHFFFAOYSA-N 1 0 546.539 6.347 50 0 KKAARO O=C(c1cc(-c2ccccn2)nc2ccc(Br)cc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098042737 554121709 /nfs/dbraw/zinc/12/17/09/554121709.db2.gz OILHKJLAFCFETP-UHFFFAOYSA-N 1 0 531.498 5.786 50 0 KKAARO COc1ccccc1-c1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c2cc(Br)ccc2n1 ZINC000098042738 554121851 /nfs/dbraw/zinc/12/18/51/554121851.db2.gz BVUXGCNZSOSTMJ-UHFFFAOYSA-N 1 0 560.536 6.400 50 0 KKAARO COc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042723 554121863 /nfs/dbraw/zinc/12/18/63/554121863.db2.gz ITPNFUPVQQDQGY-UHFFFAOYSA-N 1 0 560.536 6.400 50 0 KKAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH2+]C(c3ccccc3)c3ccccc3)cc21 ZINC000098045245 554131255 /nfs/dbraw/zinc/13/12/55/554131255.db2.gz VUTNZUYSTIXPOS-GDLZYMKVSA-N 1 0 548.683 6.294 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(C)c2)cc1 ZINC000036049464 554155511 /nfs/dbraw/zinc/15/55/11/554155511.db2.gz RGXBRWCPICOXCO-UHFFFAOYSA-N 1 0 509.654 5.107 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000036067303 554165507 /nfs/dbraw/zinc/16/55/07/554165507.db2.gz QVFDTSQHELWKNC-IPIYWATJSA-N 1 0 507.763 5.680 50 0 KKAARO CCCC[NH+](CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1 ZINC000100004343 554177777 /nfs/dbraw/zinc/17/77/77/554177777.db2.gz DYLGFOYVTXJFJP-PZKKRVAUSA-N 1 0 528.951 9.152 50 0 fda KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146791 554198143 /nfs/dbraw/zinc/19/81/43/554198143.db2.gz NWXYRCUVHTYKDD-UNMCSNQZSA-N 1 0 507.389 5.298 50 0 KKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)Cc2ccccc2)cc1 ZINC000036157130 554198733 /nfs/dbraw/zinc/19/87/33/554198733.db2.gz ALZMBABESGATEL-UHFFFAOYSA-N 1 0 509.596 7.353 50 0 KKAARO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)Cc2ccccc2)cc1 ZINC000036157134 554198712 /nfs/dbraw/zinc/19/87/12/554198712.db2.gz ALPFBKUYDBPFEL-UHFFFAOYSA-N 1 0 509.596 7.353 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036202831 554200620 /nfs/dbraw/zinc/20/06/20/554200620.db2.gz LWAKAQBOWXCBQP-UHFFFAOYSA-N 1 0 515.650 5.928 50 0 KKAARO Cc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000036203252 554201092 /nfs/dbraw/zinc/20/10/92/554201092.db2.gz IMFHNUOKKPMJII-MUUNZHRXSA-N 1 0 503.589 6.332 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccccc3C)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203200 554201155 /nfs/dbraw/zinc/20/11/55/554201155.db2.gz INJLQJGIFXVUKB-SSEXGKCCSA-N 1 0 527.661 6.071 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036303430 554213364 /nfs/dbraw/zinc/21/33/64/554213364.db2.gz HKQGNEHQNXNDKF-MHZLTWQESA-N 1 0 517.645 6.154 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036303982 554213711 /nfs/dbraw/zinc/21/37/11/554213711.db2.gz UMDSXBYOFNWKPS-HSZRJFAPSA-N 1 0 501.618 5.885 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036303574 554213839 /nfs/dbraw/zinc/21/38/39/554213839.db2.gz RISILECNKILUOF-MHZLTWQESA-N 1 0 532.084 6.416 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306573 554215902 /nfs/dbraw/zinc/21/59/02/554215902.db2.gz VJIVAKBLVRFKIZ-HHHXNRCGSA-N 1 0 511.666 6.148 50 0 KKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036306627 554215910 /nfs/dbraw/zinc/21/59/10/554215910.db2.gz XBIAAOTXVYFJPU-AREMUKBSSA-N 1 0 517.645 6.054 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307282 554216433 /nfs/dbraw/zinc/21/64/33/554216433.db2.gz OAJPBJDNVYUPCY-DEOSSOPVSA-N 1 0 505.590 5.401 50 0 KKAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1F ZINC000036340834 554220275 /nfs/dbraw/zinc/22/02/75/554220275.db2.gz UKKJOKZIBJUBKE-HHHXNRCGSA-N 1 0 510.657 5.162 50 0 KKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341807 554221162 /nfs/dbraw/zinc/22/11/62/554221162.db2.gz OXYNZKZHBUNJBH-MHZLTWQESA-N 1 0 516.041 5.701 50 0 KKAARO COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343395 554221938 /nfs/dbraw/zinc/22/19/38/554221938.db2.gz BSSHVTWCHBDTGL-SSEXGKCCSA-N 1 0 511.666 5.645 50 0 KKAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1cccc(Cl)c1 ZINC000037359587 554235118 /nfs/dbraw/zinc/23/51/18/554235118.db2.gz VQJRFYSUMUILOJ-UHFFFAOYSA-N 1 0 510.045 5.099 50 0 KKAARO Nc1c2c(nn1-c1ccccc1Cl)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376250 554235306 /nfs/dbraw/zinc/23/53/06/554235306.db2.gz XOZWJDZDSSYTMQ-UHFFFAOYSA-N 1 0 500.409 5.408 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524383 554250309 /nfs/dbraw/zinc/25/03/09/554250309.db2.gz JOXAZIBYPQVCCB-RPLLCQBOSA-N 1 0 510.600 6.127 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000037524399 554250444 /nfs/dbraw/zinc/25/04/44/554250444.db2.gz NUXSDKUBJGTUSZ-LMSSTIIKSA-N 1 0 508.628 7.028 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1cc2sc(Br)cc2n1Cc1ccc(Br)cc1 ZINC000037588245 554253360 /nfs/dbraw/zinc/25/33/60/554253360.db2.gz YEVNQCPNNDJWPL-UHFFFAOYSA-N 1 0 511.283 5.102 50 0 KKAARO CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@H]1c1ccccc1 ZINC000037605262 554256788 /nfs/dbraw/zinc/25/67/88/554256788.db2.gz PIAFIGDRBAWFBQ-GDLZYMKVSA-N 1 0 529.681 5.204 50 0 KKAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 ZINC000038139131 554259099 /nfs/dbraw/zinc/25/90/99/554259099.db2.gz WXUASCZMBUYHBV-UHFFFAOYSA-N 1 0 562.761 5.599 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000038146810 554269907 /nfs/dbraw/zinc/26/99/07/554269907.db2.gz SKRXFKGFKFOOKW-IWIKFHKFSA-N 1 0 547.696 5.537 50 0 KKAARO CCCCc1nc(-c2ccc(OCCC[NH+](CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000038336973 554274601 /nfs/dbraw/zinc/27/46/01/554274601.db2.gz KJNNWYBAOPXVJY-UHFFFAOYSA-N 1 0 532.128 8.438 50 0 investigational KKAARO [NH3+][C@@H](c1ccccc1)[C@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000043763948 554299585 /nfs/dbraw/zinc/29/95/85/554299585.db2.gz YHBAPPMVVCHAQC-ZPGRZCPFSA-N 1 0 507.617 9.597 50 0 KKAARO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000043883932 554300205 /nfs/dbraw/zinc/30/02/05/554300205.db2.gz OOABJYJUKFWDEH-HFZDXXHNSA-N 1 0 528.093 5.481 50 0 KKAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912786 554314003 /nfs/dbraw/zinc/31/40/03/554314003.db2.gz HMSSVNRZULBRLG-UHFFFAOYSA-N 1 0 506.716 5.768 50 0 KKAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049763177 554325445 /nfs/dbraw/zinc/32/54/45/554325445.db2.gz QREJVTUHQUFUBX-QFIPXVFZSA-N 1 0 651.330 5.182 50 0 KKAARO COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn21 ZINC000050861789 554328115 /nfs/dbraw/zinc/32/81/15/554328115.db2.gz ZAXLMPLGDSSUDJ-UHFFFAOYSA-N 1 0 558.067 5.571 50 0 KKAARO CC(C)[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)Cc1ccccc1 ZINC000053371778 554348098 /nfs/dbraw/zinc/34/80/98/554348098.db2.gz MTYXOPDWTUXEPC-VQJSHJPSSA-N 1 0 586.157 6.308 50 0 KKAARO CC(C)(C)c1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054284476 554349412 /nfs/dbraw/zinc/34/94/12/554349412.db2.gz VCBMHVKKURYPMQ-UHFFFAOYSA-N 1 0 505.666 6.048 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000057222734 554352637 /nfs/dbraw/zinc/35/26/37/554352637.db2.gz WWKBNOMYLXYSQB-UHFFFAOYSA-N 1 0 505.618 5.715 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000100405063 554373164 /nfs/dbraw/zinc/37/31/64/554373164.db2.gz MNZJKEQUSTVFTB-UHFFFAOYSA-N 1 0 542.861 5.464 50 0 KKAARO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000059524303 554405404 /nfs/dbraw/zinc/40/54/04/554405404.db2.gz SIGXGKDOFFAAQJ-UHFFFAOYSA-N 1 0 534.125 6.503 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3ccc(C)cc3s2)cc1 ZINC000060209673 554503399 /nfs/dbraw/zinc/50/33/99/554503399.db2.gz HZLFMSZMYGRRET-UHFFFAOYSA-N 1 0 550.750 5.809 50 0 KKAARO COc1ccc([C@H]2CC(=O)[C@@H]([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927463 554524717 /nfs/dbraw/zinc/52/47/17/554524717.db2.gz ZQUBRKJSKNTGGQ-OCFYOKIWSA-N 1 0 528.958 5.675 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5cc(C)ccc5C)CC4)sc3nc2c1Cl ZINC000065330830 554526300 /nfs/dbraw/zinc/52/63/00/554526300.db2.gz XAWDVEYOMKMOOW-UHFFFAOYSA-N 1 0 508.087 6.370 50 0 KKAARO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH2+]CCc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000100948522 554536734 /nfs/dbraw/zinc/53/67/34/554536734.db2.gz ZBGQGWFREMQLLS-HXUWFJFHSA-N 1 0 568.581 6.685 50 0 KKAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997809 554538112 /nfs/dbraw/zinc/53/81/12/554538112.db2.gz GGRFXCGOSHLLEF-UIOOFZCWSA-N 1 0 670.468 7.556 50 0 KKAARO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2 ZINC000068014383 554538178 /nfs/dbraw/zinc/53/81/78/554538178.db2.gz AHJUHHDDCJQACA-UHFFFAOYSA-N 1 0 688.741 5.323 50 0 in-vivo KKAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009606 554557207 /nfs/dbraw/zinc/55/72/07/554557207.db2.gz RADVIKCJDOXKSC-FIRIVFDPSA-N 1 0 571.718 5.184 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2ccccc2Cl)SCC1=O ZINC000101050672 554568696 /nfs/dbraw/zinc/56/86/96/554568696.db2.gz NRBGTYDVTVBPFK-LJAQVGFWSA-N 1 0 578.113 5.179 50 0 KKAARO Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000101092059 554583011 /nfs/dbraw/zinc/58/30/11/554583011.db2.gz XBAOWEWDCZXQFW-RUZDIDTESA-N 1 0 557.319 7.292 50 0 KKAARO Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000101092055 554583061 /nfs/dbraw/zinc/58/30/61/554583061.db2.gz XBAOWEWDCZXQFW-VWLOTQADSA-N 1 0 557.319 7.292 50 0 KKAARO CCOc1cc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc(OCC)c1OCC ZINC000101193466 554671573 /nfs/dbraw/zinc/67/15/73/554671573.db2.gz RNAJWIWGKXNATP-UHFFFAOYSA-N 1 0 585.701 7.323 50 0 KKAARO CCC[NH+](CCC)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205603 554675378 /nfs/dbraw/zinc/67/53/78/554675378.db2.gz VDXHCKMKWHECCU-ZORDVFMASA-N 1 0 614.787 5.139 50 0 biogenic KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101206663 554676403 /nfs/dbraw/zinc/67/64/03/554676403.db2.gz UDUNPWMGWDRQOU-ZLMQMPPYSA-N 1 0 619.206 5.099 50 0 biogenic KKAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000101226243 554688865 /nfs/dbraw/zinc/68/88/65/554688865.db2.gz WLBWGIAUMDCTMO-FIRIVFDPSA-N 1 0 545.699 5.944 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254651 554695241 /nfs/dbraw/zinc/69/52/41/554695241.db2.gz QBBSIPIANAFSFY-RUZDIDTESA-N 1 0 543.133 5.192 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254736 554695516 /nfs/dbraw/zinc/69/55/16/554695516.db2.gz FPAPNKIEBNJKHE-NDEPHWFRSA-N 1 0 594.778 5.105 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254824 554695566 /nfs/dbraw/zinc/69/55/66/554695566.db2.gz WRWGMUDWADOOMG-YTTGMZPUSA-N 1 0 629.827 5.023 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255154 554696556 /nfs/dbraw/zinc/69/65/56/554696556.db2.gz SZYWYLIXTSSIGU-MUUNZHRXSA-N 1 0 594.156 5.018 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341546 554735521 /nfs/dbraw/zinc/73/55/21/554735521.db2.gz YFGKOZWXRWYBSB-RCRUUEGKSA-N 1 0 583.795 5.444 50 0 KKAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101350109 554738031 /nfs/dbraw/zinc/73/80/31/554738031.db2.gz DNOKAXFGBOMXBG-UHFFFAOYSA-N 1 0 551.687 5.268 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352146 554738484 /nfs/dbraw/zinc/73/84/84/554738484.db2.gz HCDMVSUBPVKYQB-VSJLXWSYSA-N 1 0 595.784 5.782 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101367613 554743951 /nfs/dbraw/zinc/74/39/51/554743951.db2.gz XOKGYGURRAUQBS-UOWMXVQPSA-N 1 0 589.091 7.111 50 0 KKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372664 554744887 /nfs/dbraw/zinc/74/48/87/554744887.db2.gz LAKUZTCMDQBXCB-COYQNBETSA-N 1 0 557.735 6.889 50 0 KKAARO CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101373601 554745476 /nfs/dbraw/zinc/74/54/76/554745476.db2.gz ICXHNXMIIFLMBZ-RRAHZORUSA-N 1 0 548.659 5.017 50 0 KKAARO CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101373467 554745555 /nfs/dbraw/zinc/74/55/55/554745555.db2.gz KMDFRJJLAJNWMI-USHMODERSA-N 1 0 565.114 5.531 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1 ZINC000101378448 554747479 /nfs/dbraw/zinc/74/74/79/554747479.db2.gz OCSSPPVRIBPKRC-JGNKLCKRSA-N 1 0 542.120 5.871 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386220 554751374 /nfs/dbraw/zinc/75/13/74/554751374.db2.gz WSBIQQVSWDVMMP-ZJJOJAIXSA-N 1 0 604.839 7.663 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386219 554751386 /nfs/dbraw/zinc/75/13/86/554751386.db2.gz WSBIQQVSWDVMMP-NQVJXQQZSA-N 1 0 604.839 7.663 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386181 554751481 /nfs/dbraw/zinc/75/14/81/554751481.db2.gz LDWYSZQCVJPLQB-ZQAZVOLISA-N 1 0 593.772 6.142 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386232 554751527 /nfs/dbraw/zinc/75/15/27/554751527.db2.gz TYYREJHFKQVTIJ-YTWZBVJHSA-N 1 0 622.810 6.755 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386239 554751724 /nfs/dbraw/zinc/75/17/24/554751724.db2.gz XVKPUBUOGCGNQE-MFACQUFMSA-N 1 0 605.827 6.804 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416108 554765044 /nfs/dbraw/zinc/76/50/44/554765044.db2.gz ZUJVEUBXNUQCIQ-SZPZYZBQSA-N 1 0 580.150 5.431 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416111 554765052 /nfs/dbraw/zinc/76/50/52/554765052.db2.gz ZUJVEUBXNUQCIQ-VXKWHMMOSA-N 1 0 580.150 5.431 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000101416833 554765851 /nfs/dbraw/zinc/76/58/51/554765851.db2.gz QXDBAJKPQJROPJ-UHFFFAOYSA-N 1 0 563.695 5.203 50 0 KKAARO COc1ccc(OC)c(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000101421868 554767328 /nfs/dbraw/zinc/76/73/28/554767328.db2.gz FDPHPIOEKSUATJ-SANMLTNESA-N 1 0 583.758 5.174 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000101454761 554776771 /nfs/dbraw/zinc/77/67/71/554776771.db2.gz YUGNCPKYZAQVAT-LHEWISCISA-N 1 0 533.669 5.149 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000101454806 554776778 /nfs/dbraw/zinc/77/67/78/554776778.db2.gz XOYBGXGUFMKZED-LDLOPFEMSA-N 1 0 549.712 5.785 50 0 KKAARO CC(=O)Nc1c2c(C)c(C)sc2n2c1C(=O)N(CCC[NH+]1CCCCC1)[C@@](C)(C(=O)NC1CCCCCC1)C2 ZINC000101489739 554785788 /nfs/dbraw/zinc/78/57/88/554785788.db2.gz VPYVLJJWAZVEAY-SSEXGKCCSA-N 1 0 555.789 5.208 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506510 554790177 /nfs/dbraw/zinc/79/01/77/554790177.db2.gz DMQUOEYURNGXTN-VAMRJTSQSA-N 1 0 541.761 6.835 50 0 KKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)C1CCCCC1 ZINC000101506322 554790180 /nfs/dbraw/zinc/79/01/80/554790180.db2.gz WWZYXVHFYPUPEF-LPTXXCRRSA-N 1 0 595.853 8.146 50 0 KKAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507232 554791195 /nfs/dbraw/zinc/79/11/95/554791195.db2.gz GROGGJMCBGIGCN-AWSUPERCSA-N 1 0 568.787 5.741 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)nc2cc1Br ZINC000101582967 554800962 /nfs/dbraw/zinc/80/09/62/554800962.db2.gz RTWLGIKBEJSQFO-UHFFFAOYSA-N 1 0 537.568 5.445 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000101617916 554806418 /nfs/dbraw/zinc/80/64/18/554806418.db2.gz SYXQMQSCOLPHNI-IOWSJCHKSA-N 1 0 558.792 5.630 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101617986 554806426 /nfs/dbraw/zinc/80/64/26/554806426.db2.gz DQWOZLGJVALEIT-WXKJZWBCSA-N 1 0 558.792 5.710 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101618206 554806683 /nfs/dbraw/zinc/80/66/83/554806683.db2.gz PKYUEYFDSJUJFQ-KYJUHHDHSA-N 1 0 560.764 5.022 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101618670 554806708 /nfs/dbraw/zinc/80/67/08/554806708.db2.gz FXZDDLBXFPVEOS-ROJLCIKYSA-N 1 0 570.803 5.917 50 0 KKAARO Cc1cc(C)c(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000101633852 554812187 /nfs/dbraw/zinc/81/21/87/554812187.db2.gz WBKLPHMXUQZNFZ-UHFFFAOYSA-N 1 0 551.244 7.969 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1Br ZINC000101634451 554812575 /nfs/dbraw/zinc/81/25/75/554812575.db2.gz TUQKECMBHOQBBQ-NXFJEDKMSA-N 1 0 572.569 5.422 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636873 554813142 /nfs/dbraw/zinc/81/31/42/554813142.db2.gz DWERBXWKJZHGBE-USYZEHPZSA-N 1 0 627.210 5.605 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000101677457 554828111 /nfs/dbraw/zinc/82/81/11/554828111.db2.gz LWXMOXGWRANYBK-UHFFFAOYSA-N 1 0 587.548 5.714 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843147 554842930 /nfs/dbraw/zinc/84/29/30/554842930.db2.gz DFSIEZWLZUDNIX-IHLOFXLRSA-N 1 0 544.765 5.009 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869347 554845393 /nfs/dbraw/zinc/84/53/93/554845393.db2.gz PFNHGSLWBQCDJH-DEOSSOPVSA-N 1 0 545.753 5.465 50 0 KKAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000101917492 554850932 /nfs/dbraw/zinc/85/09/32/554850932.db2.gz NVFONCQMTXUTEG-UHFFFAOYSA-N 1 0 560.651 5.312 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979636 554863631 /nfs/dbraw/zinc/86/36/31/554863631.db2.gz YUGIDUUOXHLBSO-LOYHVIPDSA-N 1 0 542.749 5.748 50 0 KKAARO Cc1cc(-c2ccc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000101984583 554863906 /nfs/dbraw/zinc/86/39/06/554863906.db2.gz KMBNRWCXFNEWDZ-UHFFFAOYSA-N 1 0 564.730 5.202 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000102045761 554870018 /nfs/dbraw/zinc/87/00/18/554870018.db2.gz HFNMDHYRMSGQMK-VVFBEHOQSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000102045759 554870054 /nfs/dbraw/zinc/87/00/54/554870054.db2.gz HFNMDHYRMSGQMK-OOWIMERYSA-N 1 0 543.727 6.986 50 0 KKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084828 554876297 /nfs/dbraw/zinc/87/62/97/554876297.db2.gz APQBNYBVYZOZNO-HHHXNRCGSA-N 1 0 560.075 6.617 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099663 554881201 /nfs/dbraw/zinc/88/12/01/554881201.db2.gz WWGVJAPQMASXGF-QHCPKHFHSA-N 1 0 556.482 5.854 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102099465 554881259 /nfs/dbraw/zinc/88/12/59/554881259.db2.gz CFMACVDCZGUKLJ-HSZRJFAPSA-N 1 0 556.482 5.935 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)CC(C)C ZINC000102103580 554882353 /nfs/dbraw/zinc/88/23/53/554882353.db2.gz DHEQORIASYYTJB-UHFFFAOYSA-N 1 0 579.811 5.451 50 0 KKAARO Cc1ccc(C)c(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000102105104 554882438 /nfs/dbraw/zinc/88/24/38/554882438.db2.gz USYRHMBOTHQROI-UHFFFAOYSA-N 1 0 550.574 7.821 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000102130753 554885527 /nfs/dbraw/zinc/88/55/27/554885527.db2.gz CODBRROTXZSSOB-UHFFFAOYSA-N 1 0 599.820 6.288 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2F)CC1 ZINC000102132083 554886214 /nfs/dbraw/zinc/88/62/14/554886214.db2.gz OQHMJZQBDSCPHR-UHFFFAOYSA-N 1 0 579.692 5.443 50 0 KKAARO CC(C)(C)c1ccc(OCC(=O)N2CCN(CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000102148295 554889406 /nfs/dbraw/zinc/88/94/06/554889406.db2.gz RJYIGRIGORNNDN-UHFFFAOYSA-N 1 0 569.573 7.010 50 0 KKAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1Cl ZINC000102243944 554903325 /nfs/dbraw/zinc/90/33/25/554903325.db2.gz RTIHIARDOYLXPH-UHFFFAOYSA-N 1 0 535.895 5.106 50 0 KKAARO CCCn1c(=O)/c(=C\C=C2/C=CN(CC)c3ccccc32)s/c1=C\c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000102315765 554911520 /nfs/dbraw/zinc/91/15/20/554911520.db2.gz VKGKTMTYOZLYDR-HYKQLWBBSA-N 1 0 602.849 7.069 50 0 KKAARO COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512184 554946574 /nfs/dbraw/zinc/94/65/74/554946574.db2.gz WMPQAORGZVONAJ-NLDZOOGBSA-N 1 0 590.518 5.741 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(/C=C/c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579840 554972049 /nfs/dbraw/zinc/97/20/49/554972049.db2.gz RBOVUTAEIDVLJA-DKMAHVFTSA-N 1 0 568.744 9.533 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102611964 554981715 /nfs/dbraw/zinc/98/17/15/554981715.db2.gz UVIXXKPZDMCXQT-LAARTVBOSA-N 1 0 574.190 7.118 50 0 KKAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000102613580 554983104 /nfs/dbraw/zinc/98/31/04/554983104.db2.gz VUIMFFMQSXUXAI-SDNWHVSQSA-N 1 0 566.699 5.318 50 0 KKAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)Cc3ccccc3)CC2)C1 ZINC000102633709 554990240 /nfs/dbraw/zinc/99/02/40/554990240.db2.gz ALDOUODBZYUHDC-DEOSSOPVSA-N 1 0 546.737 5.326 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000102661950 555000712 /nfs/dbraw/zinc/00/07/12/555000712.db2.gz BGLJFUADGXHCHS-PMERELPUSA-N 1 0 565.799 5.409 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102668322 555002155 /nfs/dbraw/zinc/00/21/55/555002155.db2.gz HBTWTKDQQNYNFH-PDSZHRMOSA-N 1 0 560.163 6.872 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102668324 555002231 /nfs/dbraw/zinc/00/22/31/555002231.db2.gz HBTWTKDQQNYNFH-PEEVQDNISA-N 1 0 560.163 6.872 50 0 KKAARO COc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102698601 555012109 /nfs/dbraw/zinc/01/21/09/555012109.db2.gz DYGUZRRHWFGNAH-FREGXXQWSA-N 1 0 530.688 5.266 50 0 KKAARO O=C(Nc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1 ZINC000102728493 555022855 /nfs/dbraw/zinc/02/28/55/555022855.db2.gz LGGSEZSQMKVGRO-VPUSJEBWSA-N 1 0 607.780 5.180 50 0 KKAARO O=C(Nc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000102728482 555022871 /nfs/dbraw/zinc/02/28/71/555022871.db2.gz GCILFTGZUXQBDH-UHSQPCAPSA-N 1 0 619.741 5.258 50 0 KKAARO CC(C)[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102765166 555054654 /nfs/dbraw/zinc/05/46/54/555054654.db2.gz CQFLRHIARPRXCQ-IMRQLAEWSA-N 1 0 553.650 6.212 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000102766375 555055202 /nfs/dbraw/zinc/05/52/02/555055202.db2.gz WICLMZONCNOTQT-SWKFRHMKSA-N 1 0 560.163 6.281 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102772201 555061237 /nfs/dbraw/zinc/06/12/37/555061237.db2.gz LELLTKBYUXBQKB-JDCMOKTRSA-N 1 0 566.101 6.559 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)C1CCCCC1 ZINC000102772656 555061386 /nfs/dbraw/zinc/06/13/86/555061386.db2.gz KJWJYNSXNAGXNA-VAMRJTSQSA-N 1 0 558.122 6.691 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000102777274 555063125 /nfs/dbraw/zinc/06/31/25/555063125.db2.gz WFEPCZWIHGBCDG-UQRQXUALSA-N 1 0 541.761 6.917 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000102779323 555065144 /nfs/dbraw/zinc/06/51/44/555065144.db2.gz IDVIRIIJUHBCKP-JBASAIQMSA-N 1 0 545.724 6.748 50 0 KKAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000102784698 555067277 /nfs/dbraw/zinc/06/72/77/555067277.db2.gz MXNKIEHKHBHZDL-UHFFFAOYSA-N 1 0 563.167 5.799 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000102791499 555068930 /nfs/dbraw/zinc/06/89/30/555068930.db2.gz RRLIREPNXVQPOO-TZHWMEPESA-N 1 0 573.778 7.528 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839084 555080535 /nfs/dbraw/zinc/08/05/35/555080535.db2.gz GYRPANCBDYEPOZ-QNLPTKCRSA-N 1 0 537.729 5.920 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840422 555081230 /nfs/dbraw/zinc/08/12/30/555081230.db2.gz CXPDIMBNZQKTGR-PPHZAIPVSA-N 1 0 542.532 5.766 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844038 555084101 /nfs/dbraw/zinc/08/41/01/555084101.db2.gz MUWRZPPTJKTLKH-CHJDUVSTSA-N 1 0 547.740 5.895 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844035 555084135 /nfs/dbraw/zinc/08/41/35/555084135.db2.gz MUWRZPPTJKTLKH-RCRUUEGKSA-N 1 0 547.740 5.895 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850431 555085550 /nfs/dbraw/zinc/08/55/50/555085550.db2.gz VEOMWWAFUPGFIZ-OAQYLSRUSA-N 1 0 538.534 5.526 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103020575 555211758 /nfs/dbraw/zinc/21/17/58/555211758.db2.gz KVOPPVNBBRSAOY-UKJJDJLKSA-N 1 0 573.753 6.995 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024524 555214782 /nfs/dbraw/zinc/21/47/82/555214782.db2.gz WPEAQGJSUIOEGF-IBGZPJMESA-N 1 0 546.518 6.209 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025005 555215221 /nfs/dbraw/zinc/21/52/21/555215221.db2.gz AICGEYJBSORPBM-UHFFFAOYSA-N 1 0 556.524 5.523 50 0 KKAARO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040148 555224865 /nfs/dbraw/zinc/22/48/65/555224865.db2.gz WRQAGDADNSFIDQ-IPBJYNAHSA-N 1 0 563.739 5.777 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000103064959 555245368 /nfs/dbraw/zinc/24/53/68/555245368.db2.gz VCQKEMVKMAUUQW-WJOKGBTCSA-N 1 0 604.235 7.232 50 0 KKAARO COc1ccc(CCN(Cc2sccc2C)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000103170762 555324890 /nfs/dbraw/zinc/32/48/90/555324890.db2.gz BQDZBESDNYMDAU-UHFFFAOYSA-N 1 0 648.914 7.522 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103176376 555327444 /nfs/dbraw/zinc/32/74/44/555327444.db2.gz KCIUKKCHMJAGTE-JGCGQSQUSA-N 1 0 569.790 6.326 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103190626 555333306 /nfs/dbraw/zinc/33/33/06/555333306.db2.gz DNMJAOHFVPNVMZ-UHFFFAOYSA-N 1 0 579.667 6.734 50 0 KKAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252360 555344493 /nfs/dbraw/zinc/34/44/93/555344493.db2.gz DAHQMVXFKNDONZ-FJQKOURKSA-N 1 0 623.798 5.667 50 0 KKAARO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103363063 555365196 /nfs/dbraw/zinc/36/51/96/555365196.db2.gz FCXWUYCGGPJHNB-CHJDUVSTSA-N 1 0 548.728 6.113 50 0 KKAARO COc1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)ccc1OCc1ccccc1 ZINC000103393068 555377165 /nfs/dbraw/zinc/37/71/65/555377165.db2.gz MLYNICWTRHARCQ-MGBGTMOVSA-N 1 0 587.764 7.011 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103411252 555396885 /nfs/dbraw/zinc/39/68/85/555396885.db2.gz SPFZTCMBWSHFIP-DICHSLLOSA-N 1 0 555.763 6.856 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000103419211 555399655 /nfs/dbraw/zinc/39/96/55/555399655.db2.gz HMZABCSOXPZFOD-MXBOTTGLSA-N 1 0 577.735 8.166 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(Cl)cc2)n1 ZINC000103432143 555413785 /nfs/dbraw/zinc/41/37/85/555413785.db2.gz OJXBYYLOLJBPFB-UHFFFAOYSA-N 1 0 587.233 7.237 50 0 KKAARO C[n+]1c(/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000103550314 555443478 /nfs/dbraw/zinc/44/34/78/555443478.db2.gz ACJOVGFZWHPVFM-RWYGWLOXSA-N 1 0 568.744 9.371 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000103578589 555451177 /nfs/dbraw/zinc/45/11/77/555451177.db2.gz ICIIJZSWXYZDKU-LXFBAYGMSA-N 1 0 554.131 6.015 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169301201 562852878 /nfs/dbraw/zinc/85/28/78/562852878.db2.gz SKRXFKGFKFOOKW-NWWWKGIRSA-N 1 0 547.696 5.537 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248342633 562881659 /nfs/dbraw/zinc/88/16/59/562881659.db2.gz YOTKJXYNGWBHAW-FSUFCWANSA-N 1 0 527.624 5.471 50 0 KKAARO COc1cccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101014000 571361228 /nfs/dbraw/zinc/36/12/28/571361228.db2.gz GAPOJNWYNKHEIR-CKHSQSCFSA-N 1 0 506.602 5.409 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000101671347 571361356 /nfs/dbraw/zinc/36/13/56/571361356.db2.gz XOIGRVFCEOUDOM-UMKORLBGSA-N 1 0 584.672 6.466 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cc(OC)ccc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287956 571361578 /nfs/dbraw/zinc/36/15/78/571361578.db2.gz KITQYGYVCYNJBY-HDHDNLQWSA-N 1 0 614.698 6.474 50 0 KKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042008 571390220 /nfs/dbraw/zinc/39/02/20/571390220.db2.gz SDKSCOATSSTLML-CUBQBAPOSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042604 571390386 /nfs/dbraw/zinc/39/03/86/571390386.db2.gz RUPCVIAPEOZQPW-YIXXDRMTSA-N 1 0 516.579 6.821 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000105042246 571390410 /nfs/dbraw/zinc/39/04/10/571390410.db2.gz FPEDYRLYOQPEPJ-OZXSUGGESA-N 1 0 544.589 6.325 50 0 KKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042553 571390416 /nfs/dbraw/zinc/39/04/16/571390416.db2.gz HTDMDWOPRKQETE-RBJSKKJNSA-N 1 0 530.606 7.068 50 0 KKAARO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@H]1O)[C@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000106533497 571412740 /nfs/dbraw/zinc/41/27/40/571412740.db2.gz ZGJNBFONRAJFJM-FCDXVRONSA-N 1 0 556.723 5.386 50 0 biogenic KKAARO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000107629073 571420581 /nfs/dbraw/zinc/42/05/81/571420581.db2.gz SRBUBKFXSYYMTK-UHFFFAOYSA-N 1 0 588.384 6.803 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108487089 571425988 /nfs/dbraw/zinc/42/59/88/571425988.db2.gz WOMIVVVCLHIQKL-ZRVSFHQTSA-N 1 0 610.843 6.777 50 0 KKAARO O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000108999013 571428074 /nfs/dbraw/zinc/42/80/74/571428074.db2.gz ZSFPVGLXPLEPQB-WVMMTVHUSA-N 1 0 573.504 9.147 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000147346885 571456780 /nfs/dbraw/zinc/45/67/80/571456780.db2.gz KZKYUIVPCVBNOY-NOCHOARKSA-N 1 0 579.716 6.344 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150346626 571460565 /nfs/dbraw/zinc/46/05/65/571460565.db2.gz VGBLLXYHSNXODN-WECIHKQLSA-N 1 0 665.854 6.714 50 0 KKAARO Cc1c2cc(OCc3ccccc3)ccc2n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c1-c1ccc(OCc2ccccc2)cc1 ZINC000150349545 571461505 /nfs/dbraw/zinc/46/15/05/571461505.db2.gz NXAHBBRIVLXMQA-UHFFFAOYSA-N 1 0 650.863 10.078 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150388814 571471016 /nfs/dbraw/zinc/47/10/16/571471016.db2.gz PDVKEAYSTHPQDA-UHFFFAOYSA-N 1 0 695.819 10.513 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CCC)CCC)cc1 ZINC000150388828 571471249 /nfs/dbraw/zinc/47/12/49/571471249.db2.gz XMTUZTHGXHQOSS-UHFFFAOYSA-N 1 0 674.156 10.058 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150388980 571471336 /nfs/dbraw/zinc/47/13/36/571471336.db2.gz WMUAWSWPPVSQDR-UHFFFAOYSA-N 1 0 644.130 9.543 50 0 KKAARO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389106 571471474 /nfs/dbraw/zinc/47/14/74/571471474.db2.gz GXFNYGHXZUTBKE-UHFFFAOYSA-N 1 0 692.127 8.617 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389046 571471484 /nfs/dbraw/zinc/47/14/84/571471484.db2.gz FXFRAXJVHZLMOY-UHFFFAOYSA-N 1 0 648.074 8.424 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000150390630 571472909 /nfs/dbraw/zinc/47/29/09/571472909.db2.gz GIZRZGHJZHFZNI-MHZLTWQESA-N 1 0 644.600 5.684 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000150390857 571473153 /nfs/dbraw/zinc/47/31/53/571473153.db2.gz QYSNILWPOILXJF-HXUWFJFHSA-N 1 0 656.644 6.919 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150396112 571476313 /nfs/dbraw/zinc/47/63/13/571476313.db2.gz DWRDAGLPAITCET-MGBGTMOVSA-N 1 0 644.907 6.873 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396132 571476314 /nfs/dbraw/zinc/47/63/14/571476314.db2.gz GRHGIWBEULFGSU-NDEPHWFRSA-N 1 0 640.637 5.541 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396357 571476538 /nfs/dbraw/zinc/47/65/38/571476538.db2.gz SVMLZBZSLSVACA-LJAQVGFWSA-N 1 0 668.647 5.713 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000150396517 571476543 /nfs/dbraw/zinc/47/65/43/571476543.db2.gz RSASTBQSEVOFEW-HHHXNRCGSA-N 1 0 649.019 6.329 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150418771 571486710 /nfs/dbraw/zinc/48/67/10/571486710.db2.gz IGLWTZITVZSIEF-SSEXGKCCSA-N 1 0 678.255 5.064 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000150426764 571491091 /nfs/dbraw/zinc/49/10/91/571491091.db2.gz NHSHGMUZCIRVEI-UHFFFAOYSA-N 1 0 642.221 6.408 50 0 KKAARO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000150457933 571505203 /nfs/dbraw/zinc/50/52/03/571505203.db2.gz OXNCRKNDFKVRIA-UHFFFAOYSA-N 1 0 652.890 6.561 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169678447 571555725 /nfs/dbraw/zinc/55/57/25/571555725.db2.gz UNHRXELDSPPWLW-IRLDBZIGSA-N 1 0 523.844 5.813 50 0 KKAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680834 571556902 /nfs/dbraw/zinc/55/69/02/571556902.db2.gz QFHVEBHURJSVJE-RBTNQOKQSA-N 1 0 520.674 5.298 50 0 KKAARO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680910 571557311 /nfs/dbraw/zinc/55/73/11/571557311.db2.gz CRAAZTDUHIJFSQ-NRUKRWIHSA-N 1 0 561.767 6.331 50 0 KKAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681576 571557581 /nfs/dbraw/zinc/55/75/81/571557581.db2.gz UAXRSEWQUQEUOH-UFHPHHKVSA-N 1 0 529.681 6.160 50 0 KKAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681938 571557714 /nfs/dbraw/zinc/55/77/14/571557714.db2.gz PSYPOUXRHNSNTM-VWNXMTODSA-N 1 0 503.952 5.131 50 0 KKAARO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000220973492 571604201 /nfs/dbraw/zinc/60/42/01/571604201.db2.gz WWRJBBGGFSRXJO-KHHRZPJVSA-N 1 0 507.763 5.680 50 0 KKAARO O=C1c2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H](c2ccc(Br)cc2)N1CCCn1ccnc1 ZINC000222157559 571604765 /nfs/dbraw/zinc/60/47/65/571604765.db2.gz HZXBRCFEDOCBBP-NDEPHWFRSA-N 1 0 552.476 6.193 50 0 in-vitro KKAARO Clc1ccc(Cn2cc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c3ccccc32)cc1Cl ZINC000261491988 572110448 /nfs/dbraw/zinc/11/04/48/572110448.db2.gz ODHYVAMCCSXHII-UHFFFAOYSA-N 1 0 523.493 6.244 50 0 KKAARO O=C(CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCCCCCC1 ZINC000299794395 572136949 /nfs/dbraw/zinc/13/69/49/572136949.db2.gz KEFJGPVIAZJZDF-BHDXBOSCSA-N 1 0 546.775 5.379 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229982526 572176643 /nfs/dbraw/zinc/17/66/43/572176643.db2.gz MGPXSVORHFOKOI-IVLKBZHLSA-N 1 0 562.647 5.747 50 0 KKAARO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000230000619 572177652 /nfs/dbraw/zinc/17/76/52/572177652.db2.gz JOSUZPZEYPNQHK-RPWYQEBTSA-N 1 0 568.673 6.629 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000230003893 572177682 /nfs/dbraw/zinc/17/76/82/572177682.db2.gz DEEGGLHMMXTTDS-WWYHPTGPSA-N 1 0 584.672 6.464 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000230009906 572178434 /nfs/dbraw/zinc/17/84/34/572178434.db2.gz BZUVZYPRDNHSKS-CKPORNQBSA-N 1 0 599.901 7.629 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077506 572182923 /nfs/dbraw/zinc/18/29/23/572182923.db2.gz ZMIQZIMIKPRVMV-ZRKWFTTGSA-N 1 0 533.738 6.371 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(Cc3cccs3)CC2)CC1 ZINC000245180689 572201341 /nfs/dbraw/zinc/20/13/41/572201341.db2.gz ZGVKECDXEHYLJZ-UHFFFAOYSA-N 1 0 534.692 6.204 50 0 KKAARO CN(C)[C@H](C[N@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000245225344 572202479 /nfs/dbraw/zinc/20/24/79/572202479.db2.gz SPNBKVUSSNSXEI-OPZYGVPFSA-N 1 0 562.751 5.095 50 0 KKAARO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245245207 572217326 /nfs/dbraw/zinc/21/73/26/572217326.db2.gz BYKGXLRGQFNAQI-JXFTZBDYSA-N 1 0 558.703 6.928 50 0 KKAARO Fc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000245313072 572231038 /nfs/dbraw/zinc/23/10/38/572231038.db2.gz ZMUUQGILHLYLIZ-WUFINQPMSA-N 1 0 546.484 7.001 50 0 KKAARO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245326104 572232579 /nfs/dbraw/zinc/23/25/79/572232579.db2.gz DCQJUZJAQYDLIF-ONOMSOESSA-N 1 0 534.701 5.552 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000245328304 572234781 /nfs/dbraw/zinc/23/47/81/572234781.db2.gz MUWRZPPTJKTLKH-SMSORMJASA-N 1 0 547.740 5.895 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328432 572234855 /nfs/dbraw/zinc/23/48/55/572234855.db2.gz OLTYFLBAIKJLOR-UZTOHYMASA-N 1 0 526.077 5.251 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000245343026 572237328 /nfs/dbraw/zinc/23/73/28/572237328.db2.gz CIHIKSQWZCLWSS-JIPXPUAJSA-N 1 0 566.565 5.530 50 0 KKAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481993 572242541 /nfs/dbraw/zinc/24/25/41/572242541.db2.gz JJTFHGQBRPEFSK-QFIPXVFZSA-N 1 0 517.471 5.359 50 0 KKAARO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722637 572243864 /nfs/dbraw/zinc/24/38/64/572243864.db2.gz BPIYIYGVFWSNSR-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000247819569 572245686 /nfs/dbraw/zinc/24/56/86/572245686.db2.gz COWVBSTZYBBWJT-CPONHVLOSA-N 1 0 586.644 5.694 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842195 572245974 /nfs/dbraw/zinc/24/59/74/572245974.db2.gz FVSLFOILDLDCPS-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851203 572246421 /nfs/dbraw/zinc/24/64/21/572246421.db2.gz IUMSIEOZJKZUJC-QFIPXVFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866861 572246791 /nfs/dbraw/zinc/24/67/91/572246791.db2.gz OYLRIMMTMJXKSV-QFIPXVFZSA-N 1 0 626.521 6.368 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872084 572247099 /nfs/dbraw/zinc/24/70/99/572247099.db2.gz LNJGRHUKNVXOOG-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)C3)nc3ccccc32)cc1 ZINC000247881097 572247852 /nfs/dbraw/zinc/24/78/52/572247852.db2.gz JBZHCTYZANZDCZ-RUZDIDTESA-N 1 0 591.678 5.673 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247889222 572248287 /nfs/dbraw/zinc/24/82/87/572248287.db2.gz MHYAEJCHFRPABK-VWLOTQADSA-N 1 0 620.581 5.597 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883904 572248354 /nfs/dbraw/zinc/24/83/54/572248354.db2.gz KHCGDBXHAOQXTM-HHHXNRCGSA-N 1 0 542.768 6.799 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889803 572248459 /nfs/dbraw/zinc/24/84/59/572248459.db2.gz YCOBLRXDHATCFS-XMMPIXPASA-N 1 0 577.611 7.494 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893603 572248635 /nfs/dbraw/zinc/24/86/35/572248635.db2.gz ZCMYVMHDUVYSCO-YTTGMZPUSA-N 1 0 618.225 6.884 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894835 572248802 /nfs/dbraw/zinc/24/88/02/572248802.db2.gz OHAIOGMPTPMDOG-HSZRJFAPSA-N 1 0 503.046 5.275 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5c(C)cccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247915264 572249202 /nfs/dbraw/zinc/24/92/02/572249202.db2.gz VYPKDGLTJNNFAF-MUUNZHRXSA-N 1 0 551.735 5.271 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949125 572250347 /nfs/dbraw/zinc/25/03/47/572250347.db2.gz RXMINRKATVJMAS-OAQYLSRUSA-N 1 0 655.424 6.291 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247941937 572250358 /nfs/dbraw/zinc/25/03/58/572250358.db2.gz NNXCOQQFPCDIQP-CUBQBAPOSA-N 1 0 514.563 6.117 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970120 572251209 /nfs/dbraw/zinc/25/12/09/572251209.db2.gz CVDAHIXCSIKBCL-OAQYLSRUSA-N 1 0 513.608 5.197 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969120 572251230 /nfs/dbraw/zinc/25/12/30/572251230.db2.gz CQBQLSARSSICHV-HXUWFJFHSA-N 1 0 542.511 5.121 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247996703 572251628 /nfs/dbraw/zinc/25/16/28/572251628.db2.gz DCDZBOZBYSWDEO-YTMVLYRLSA-N 1 0 518.583 5.670 50 0 KKAARO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001083 572251927 /nfs/dbraw/zinc/25/19/27/572251927.db2.gz SNPCNGLWMXRAOE-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000248002982 572251937 /nfs/dbraw/zinc/25/19/37/572251937.db2.gz AYIYLRIOAIWQDC-AZGAKELHSA-N 1 0 511.638 5.177 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007127 572251945 /nfs/dbraw/zinc/25/19/45/572251945.db2.gz PUCQXIMKHXFUNT-NRFANRHFSA-N 1 0 513.608 5.197 50 0 KKAARO CCCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)C(C)C ZINC000248014118 572252344 /nfs/dbraw/zinc/25/23/44/572252344.db2.gz SEEMXGBPRPORIF-OAQYLSRUSA-N 1 0 511.508 6.037 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248031590 572252829 /nfs/dbraw/zinc/25/28/29/572252829.db2.gz XSLRPMKHGXJIJI-IGKIAQTJSA-N 1 0 504.612 6.991 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000248060337 572252999 /nfs/dbraw/zinc/25/29/99/572252999.db2.gz DGBGBNJZXBYKTR-JIPXPUAJSA-N 1 0 555.666 5.786 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248085872 572253229 /nfs/dbraw/zinc/25/32/29/572253229.db2.gz FJKJDMZJSROZEX-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132978 572254744 /nfs/dbraw/zinc/25/47/44/572254744.db2.gz BPFBNZZXKCDZEN-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139297 572255124 /nfs/dbraw/zinc/25/51/24/572255124.db2.gz OSBHOLAHQMDFCS-QHCPKHFHSA-N 1 0 588.550 5.357 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248140694 572255290 /nfs/dbraw/zinc/25/52/90/572255290.db2.gz PUKLYKFPAPHFDD-NLCLVCPQSA-N 1 0 556.618 5.686 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000248147227 572255367 /nfs/dbraw/zinc/25/53/67/572255367.db2.gz TXVNHDUTJPUEOX-GGVMLGSCSA-N 1 0 595.482 6.984 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(C)c5C)CC4)C3)nc3ccccc32)cc1 ZINC000248162326 572256145 /nfs/dbraw/zinc/25/61/45/572256145.db2.gz POIHUFQOYQPEKW-MUUNZHRXSA-N 1 0 551.735 5.271 50 0 KKAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248332825 572258115 /nfs/dbraw/zinc/25/81/15/572258115.db2.gz JLEJNNHBBFNPSP-IECCPQQKSA-N 1 0 556.460 5.081 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248329684 572258189 /nfs/dbraw/zinc/25/81/89/572258189.db2.gz DSFLXWSYLKLABO-IPMXHECSSA-N 1 0 556.460 5.081 50 0 KKAARO CCCCC[N@@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800738 572258807 /nfs/dbraw/zinc/25/88/07/572258807.db2.gz NCFFNJNNMLKHOL-CUTZTJRCSA-N 1 0 609.723 5.376 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013965 572259817 /nfs/dbraw/zinc/25/98/17/572259817.db2.gz UQNVPDTYVMDFBI-VWLOTQADSA-N 1 0 525.672 5.288 50 0 KKAARO CCc1ccc(N2CCN(C(=O)C3CCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1 ZINC000252022106 572259918 /nfs/dbraw/zinc/25/99/18/572259918.db2.gz YZHXKBGZRPEFAL-UHFFFAOYSA-N 1 0 525.672 5.288 50 0 KKAARO Cc1noc(C)c1CN1CCC([NH+]2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252485309 572261620 /nfs/dbraw/zinc/26/16/20/572261620.db2.gz GQWCOUPTKWJUSA-UHFFFAOYSA-N 1 0 547.666 5.748 50 0 KKAARO O=C(c1cc2ccccc2o1)N1CCC([NH+]2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252494053 572261724 /nfs/dbraw/zinc/26/17/24/572261724.db2.gz NJWBXDDGIDIZDJ-UHFFFAOYSA-N 1 0 582.667 6.529 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@@H]3CCC[C@H]3[NH+]3CCN(C)CC3)cc2)CC1 ZINC000252512219 572262112 /nfs/dbraw/zinc/26/21/12/572262112.db2.gz ODKQFULXUUADEW-HPDAOXAKSA-N 1 0 510.122 5.686 50 0 KKAARO C[N@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252584829 572264212 /nfs/dbraw/zinc/26/42/12/572264212.db2.gz DBVANVNXSDDHHB-KGYSHXOESA-N 1 0 634.777 5.149 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373029 572282146 /nfs/dbraw/zinc/28/21/46/572282146.db2.gz HMSACZQRUSJPKE-BRQNREJHSA-N 1 0 598.655 6.186 50 0 KKAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000253406826 572286376 /nfs/dbraw/zinc/28/63/76/572286376.db2.gz JIBXSOSQHABCLS-JBXWGSRRSA-N 1 0 528.697 5.085 50 0 KKAARO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479654 572289980 /nfs/dbraw/zinc/28/99/80/572289980.db2.gz RQUMINIXJUZQHT-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO CN(C)c1ccc(-c2cc(-c3ccccc3)[n+](C[C@@]3(O)CC[C@@H]4[C@@H]5CC[C@@]6(C)CCCC[C@]6(C)[C@@H]5CC[C@]43C)c(-c3ccccc3)c2)cc1 ZINC000253522709 572297614 /nfs/dbraw/zinc/29/76/14/572297614.db2.gz NVBRMCWACQRTTK-DYRYOWIYSA-N 1 0 653.975 10.595 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607264 572300954 /nfs/dbraw/zinc/30/09/54/572300954.db2.gz HVOXUTDNQMPWRR-RUZDIDTESA-N 1 0 600.605 6.472 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615533 572301329 /nfs/dbraw/zinc/30/13/29/572301329.db2.gz MEQLVTFDKPLPRM-NRFANRHFSA-N 1 0 655.424 6.291 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616775 572301452 /nfs/dbraw/zinc/30/14/52/572301452.db2.gz DLUUMPUNLQOEHY-XMMPIXPASA-N 1 0 562.545 5.952 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616778 572301455 /nfs/dbraw/zinc/30/14/55/572301455.db2.gz DOJBBNACGFYIFK-DEOSSOPVSA-N 1 0 516.705 6.871 50 0 KKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350478 572321758 /nfs/dbraw/zinc/32/17/58/572321758.db2.gz XSWCEFIPJIPPPW-VFUYZLEVSA-N 1 0 573.906 9.718 50 0 KKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257356930 572321999 /nfs/dbraw/zinc/32/19/99/572321999.db2.gz LDLFMTWFFWGZLY-IBZBOZAZSA-N 1 0 511.835 8.424 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)nc2ccc(C(C)C)cc21 ZINC000409413072 1069808741 /nfs/dbraw/zinc/80/87/41/1069808741.db2.gz BJJJOQNZERUNMC-SETSBSEESA-N 1 0 500.687 5.773 50 0 KKAARO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N(CCOC)C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000409414064 1069809972 /nfs/dbraw/zinc/80/99/72/1069809972.db2.gz NBWSKSMBYBTGFS-AZGAKELHSA-N 1 0 568.755 5.358 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000247744045 1069816827 /nfs/dbraw/zinc/81/68/27/1069816827.db2.gz PNUXIBNCEKCHLP-OFAGRQRFSA-N 1 0 624.922 6.840 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033077 1069840623 /nfs/dbraw/zinc/84/06/23/1069840623.db2.gz ZBTHVDIHGHVTCF-NDEPHWFRSA-N 1 0 553.703 6.348 50 0 KKAARO CCCCOc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733280 1069838573 /nfs/dbraw/zinc/83/85/73/1069838573.db2.gz CVOFXQLONKMARN-IGYGKHONSA-N 1 0 507.118 6.641 50 0 KKAARO COc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000524735252 1069839501 /nfs/dbraw/zinc/83/95/01/1069839501.db2.gz LQCWCGOEWWQGLQ-CZNDPXEESA-N 1 0 561.553 7.038 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 ZINC000102166422 1069844618 /nfs/dbraw/zinc/84/46/18/1069844618.db2.gz DDGWCEFDJHGSIT-MVSFAKPFSA-N 1 0 549.671 5.299 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229165 1069850362 /nfs/dbraw/zinc/85/03/62/1069850362.db2.gz QMOJNCKOGMUTAA-NDEPHWFRSA-N 1 0 545.687 5.984 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3ccc(Cl)cc3)CN1Cc1ccc3ccccc3c1)CC2 ZINC000102472696 1069858626 /nfs/dbraw/zinc/85/86/26/1069858626.db2.gz ZTGSNEVUHUNWND-CONSDPRKSA-N 1 0 570.133 5.828 50 0 KKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H]3C[C@@H](C(=O)NC(C)C)N(Cc4cccc5ccccc54)C3)ccc21 ZINC000102645976 1069861490 /nfs/dbraw/zinc/86/14/90/1069861490.db2.gz OKWQRMVWWYUPIK-CMVGPNDKSA-N 1 0 518.705 6.225 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698836 1069862764 /nfs/dbraw/zinc/86/27/64/1069862764.db2.gz GQRNUYPINCYTPY-MUUNZHRXSA-N 1 0 537.660 6.059 50 0 KKAARO CCN1c2ccc(Cl)cc2S/C1=C\C=C1\C=C(/C=C/c2sc3cc(Cl)ccc3[n+]2CC)CCC1 ZINC000685944245 1070938082 /nfs/dbraw/zinc/93/80/82/1070938082.db2.gz GGDJKCOLQGEWTP-UHFFFAOYSA-N 1 0 526.578 9.039 50 0 KKAARO CCN1c2cc(C(C)=O)ccc2N(c2ccccc2)/C1=C\C=C(Cl)C=Cc1n(-c2ccccc2)c2ccc(C(C)=O)cc2[n+]1CC ZINC000685944584 1070944349 /nfs/dbraw/zinc/94/43/49/1070944349.db2.gz BDDZIADSXHOWDR-UHFFFAOYSA-N 1 0 628.196 8.999 50 0 KKAARO CCN1C=C/C(=C/C=C2/C[C@H](C)CC(/C=C/c3cc[n+](CC)c4ccc(C)cc34)=C2Cl)c2cc(C)ccc21 ZINC000685944662 1070945016 /nfs/dbraw/zinc/94/50/16/1070945016.db2.gz LYEVIKPZNSTBQT-UHFFFAOYSA-N 1 0 522.156 9.064 50 0 KKAARO CCN1c2ccccc2S/C1=C\C=C1\C=C(/C=C/c2cc[n+](CC)c3ccc(C(F)(F)F)cc23)CCC1 ZINC000685944462 1070941863 /nfs/dbraw/zinc/94/18/63/1070941863.db2.gz ORUKGUVLEFFZMS-UHFFFAOYSA-N 1 0 519.656 8.690 50 0 KKAARO COC(=O)c1ccc2c(c1)C=C/C(=C/C=C1/CCC(/C=C/c3ccc4cc(C(=O)OC)ccc4[n+]3C)=C1c1ccccc1)N2C ZINC000685944425 1070943106 /nfs/dbraw/zinc/94/31/06/1070943106.db2.gz JSXNWXCVRVKJBD-UHFFFAOYSA-N 1 0 595.719 7.472 50 0 KKAARO CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/c1cc(-c3ccccc3)[s+]c(-c3ccccc3)c1)C=C2 ZINC000685944439 1070943606 /nfs/dbraw/zinc/94/36/06/1070943606.db2.gz MCMOROSWGLQQRS-WYMLVPIESA-N 1 0 500.731 10.261 50 0 KKAARO O=C([C@H](c1ccccc1)C1CCCC1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020598958 1070953536 /nfs/dbraw/zinc/95/35/36/1070953536.db2.gz KMQUSHJYDIIWCR-WJOKGBTCSA-N 1 0 513.682 5.295 50 0 KKAARO COc1ccc2c(c1)c(CN1CCC[N@H+](Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC1)cn2C(C)C ZINC000257185367 1070975087 /nfs/dbraw/zinc/97/50/87/1070975087.db2.gz JLRDAZWGFOEQRU-JGCGQSQUSA-N 1 0 539.724 5.581 50 0 KKAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1C/C=C/c1ccccc1 ZINC000299756038 1071048174 /nfs/dbraw/zinc/04/81/74/1071048174.db2.gz AQBJGLFHHJVVCS-SHCFBJIJSA-N 1 0 518.661 5.436 50 0 KKAARO CN(CC[N@H+](C)Cc1cn([C@@H]2CCCCO2)nc1-c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1)C(=O)OC(C)(C)C ZINC000575442439 1071141368 /nfs/dbraw/zinc/14/13/68/1071141368.db2.gz OSBKEDOAZUPHOL-CPCREDONSA-N 1 0 604.792 6.675 50 0 KKAARO COC(=O)c1ccccc1Sc1ccccc1N[N+](=O)c1ccccc1Sc1ccccc1C(=O)OC ZINC000526055867 1071147836 /nfs/dbraw/zinc/14/78/36/1071147836.db2.gz YTIAPJOZXJBPIK-UHFFFAOYSA-N 1 0 531.635 7.000 50 0 KKAARO O=C(c1cncs1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014981018 1071245396 /nfs/dbraw/zinc/24/53/96/1071245396.db2.gz NVEDLDMKLGJQHL-DEOSSOPVSA-N 1 0 525.118 5.583 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000604405219 1071271808 /nfs/dbraw/zinc/27/18/08/1071271808.db2.gz NKDUFUJIBDLUOM-WJSKADRVSA-N 1 0 692.898 5.185 50 0 KKAARO CC(C)c1ccc([C@@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)[NH+]2CCCCC2)cc1 ZINC000606422241 1071275872 /nfs/dbraw/zinc/27/58/72/1071275872.db2.gz DWJKKBUSMZYCLP-MUUNZHRXSA-N 1 0 517.677 7.714 50 0 KKAARO Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016006962 1071314149 /nfs/dbraw/zinc/31/41/49/1071314149.db2.gz QBXBPMJJFOTNIV-HSUMMUPSSA-N 1 0 516.622 6.038 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000150517378 1071327680 /nfs/dbraw/zinc/32/76/80/1071327680.db2.gz QMKYFYXUFCSLJR-BSKIJULFSA-N 1 0 658.515 8.393 50 0 KKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014750529 1072892272 /nfs/dbraw/zinc/89/22/72/1072892272.db2.gz SSHBREQZZQPWJH-ABYGYWHVSA-N 1 0 509.650 5.385 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)CSc2ccccn2)C3)s1 ZINC000014999637 1072895547 /nfs/dbraw/zinc/89/55/47/1072895547.db2.gz UXYYYGDASQJEJE-NRFANRHFSA-N 1 0 523.724 5.352 50 0 KKAARO O=C(c1ccncc1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000015006740 1072896375 /nfs/dbraw/zinc/89/63/75/1072896375.db2.gz IKMIWNXVEMWELP-HHHXNRCGSA-N 1 0 519.089 5.521 50 0 KKAARO O=C(Cc1ccccc1)N1CCN(CCOc2cccc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c2)CC1 ZINC000019229323 1072897494 /nfs/dbraw/zinc/89/74/94/1072897494.db2.gz POWFOSYCNMXXOZ-UHFFFAOYSA-N 1 0 521.705 5.013 50 0 KKAARO O=C(c1ccoc1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055227062 1072899866 /nfs/dbraw/zinc/89/98/66/1072899866.db2.gz SJXUKKKNTMTKBZ-SANMLTNESA-N 1 0 508.062 5.719 50 0 KKAARO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000003830212 439766728 /nfs/dbraw/zinc/76/67/28/439766728.db2.gz IYIKLHRQXLHMJQ-UHFFFAOYSA-N 1 0 645.319 6.936 50 0 aggregator,fda KKAARO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000000639581 551506884 /nfs/dbraw/zinc/50/68/84/551506884.db2.gz DFPFJDYKYMTSJK-OAQYLSRUSA-N 1 0 571.313 5.138 50 0 KKAARO COc1ccc(CC[n+]2c(NC(=O)c3ccccc3)sc3c2c2ccccc2n3C(C)=O)cc1OC ZINC000000667845 551517956 /nfs/dbraw/zinc/51/79/56/551517956.db2.gz MXEZEKAWRCKJSE-UHFFFAOYSA-O 1 0 500.600 5.316 50 0 KKAARO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719917 551536620 /nfs/dbraw/zinc/53/66/20/551536620.db2.gz COUQSWZIKUJZCY-SLGVQHSVSA-N 1 0 573.660 5.143 50 0 KKAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061187 551742699 /nfs/dbraw/zinc/74/26/99/551742699.db2.gz OKPSOGXYILIUFU-ZEQRLZLVSA-N 1 0 511.796 6.460 50 0 KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C1=O ZINC000002095995 551761682 /nfs/dbraw/zinc/76/16/82/551761682.db2.gz DCXUYMDRJXRAMH-FIBWVYCGSA-N 1 0 500.687 5.145 50 0 biogenic KKAARO C[NH+](C)C[C@@H](Cc1cc(Cl)cc(Cl)c1Sc1ccccc1)c1ccc(Cl)c(Cl)c1Sc1ccccc1 ZINC000002193163 551791284 /nfs/dbraw/zinc/79/12/84/551791284.db2.gz YLPOEUAIMMNYPA-HXUWFJFHSA-N 1 0 593.472 10.491 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968251 552239636 /nfs/dbraw/zinc/23/96/36/552239636.db2.gz HBNISFDLWBQRCX-QHCPKHFHSA-N 1 0 562.390 7.648 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040362 552272782 /nfs/dbraw/zinc/27/27/82/552272782.db2.gz DSQMYDWGVLZLFI-ZEQRLZLVSA-N 1 0 527.734 6.404 50 0 KKAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)C2=O)cc1 ZINC000003046620 552276155 /nfs/dbraw/zinc/27/61/55/552276155.db2.gz LSLSCRVVMWRRSQ-BRPDVVIDSA-N 1 0 513.707 5.892 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000003051178 552277356 /nfs/dbraw/zinc/27/73/56/552277356.db2.gz XTVMXEVABPZKMA-QJOMJCCJSA-N 1 0 503.590 5.177 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000003062980 552283682 /nfs/dbraw/zinc/28/36/82/552283682.db2.gz QGYIHPCVBCSGAH-STKMKYKTSA-N 1 0 594.180 7.414 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)C1=O ZINC000003063628 552284099 /nfs/dbraw/zinc/28/40/99/552284099.db2.gz OWZGFRRQHKPMIA-UCTFJTRWSA-N 1 0 525.718 6.279 50 0 KKAARO CCCC[N@H+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003138235 552294023 /nfs/dbraw/zinc/29/40/23/552294023.db2.gz JNEBZKYMWSXVAC-OAHLLOKOSA-N 1 0 547.129 6.175 50 0 KKAARO S=C(Nc1ccccc1Cl)C1=C([NH+]2CCCCC2)/C(=C/c2cccc(Oc3ccccc3)c2)CC1 ZINC000003279501 552335320 /nfs/dbraw/zinc/33/53/20/552335320.db2.gz QWBPSVKOEFHCGN-BSYVCWPDSA-N 1 0 501.095 8.489 50 0 KKAARO CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C1=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC000003410727 552381898 /nfs/dbraw/zinc/38/18/98/552381898.db2.gz VRJANDXTKAAFAN-JJIBRWJFSA-N 1 0 557.716 6.341 50 0 KKAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000003437937 552386801 /nfs/dbraw/zinc/38/68/01/552386801.db2.gz FJZHGDHTWMAUJR-UHFFFAOYSA-N 1 0 505.666 5.106 50 0 KKAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457001 552389648 /nfs/dbraw/zinc/38/96/48/552389648.db2.gz BMLRPHHVFZAKJX-JOCHJYFZSA-N 1 0 513.549 6.961 50 0 KKAARO CCOc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1OC ZINC000003646161 552401618 /nfs/dbraw/zinc/40/16/18/552401618.db2.gz RCBKBLOTTUUJDZ-NBVRZTHBSA-N 1 0 523.633 6.925 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000003661387 552406998 /nfs/dbraw/zinc/40/69/98/552406998.db2.gz HTEOXDQNFOVGPW-VMPREFPWSA-N 1 0 517.645 5.163 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000003661389 552407042 /nfs/dbraw/zinc/40/70/42/552407042.db2.gz HTEOXDQNFOVGPW-URLMMPGGSA-N 1 0 517.645 5.163 50 0 KKAARO C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014965 552426400 /nfs/dbraw/zinc/42/64/00/552426400.db2.gz YCBHZQRQYLKSRS-GDLZYMKVSA-N 1 0 623.753 7.512 50 0 KKAARO O=C(CNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014976 552426411 /nfs/dbraw/zinc/42/64/11/552426411.db2.gz POGGJYMSELPSKY-UHFFFAOYSA-N 1 0 609.726 7.124 50 0 KKAARO CN1c2cc3oc4ccccc4c3cc2C(C)(C)/C1=C/C=C/C=C/C1=[N+](C)c2cc3oc4ccccc4c3cc2C1(C)C ZINC000004015209 552426510 /nfs/dbraw/zinc/42/65/10/552426510.db2.gz AWXHEHGDNLXMET-UHFFFAOYSA-N 1 0 563.721 9.915 50 0 KKAARO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000004214704 552449773 /nfs/dbraw/zinc/44/97/73/552449773.db2.gz LGGHDPFKSSRQNS-UHFFFAOYSA-N 1 0 646.744 6.375 50 0 investigational KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761900 552478338 /nfs/dbraw/zinc/47/83/38/552478338.db2.gz LPYDEHCQWKPZTP-PMERELPUSA-N 1 0 621.754 5.297 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762083 552478769 /nfs/dbraw/zinc/47/87/69/552478769.db2.gz AFOAFQMXIOXLEO-PMERELPUSA-N 1 0 617.841 5.350 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762091 552478864 /nfs/dbraw/zinc/47/88/64/552478864.db2.gz MNEXNVCVZJIIJZ-JGCGQSQUSA-N 1 0 629.827 5.417 50 0 KKAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762190 552479132 /nfs/dbraw/zinc/47/91/32/552479132.db2.gz HIPONTQUJQXRSN-NDEPHWFRSA-N 1 0 626.223 5.744 50 0 KKAARO C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102570 552534518 /nfs/dbraw/zinc/53/45/18/552534518.db2.gz FMTODOGGTULXOJ-QHCPKHFHSA-N 1 0 528.518 6.297 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166774 552556653 /nfs/dbraw/zinc/55/66/53/552556653.db2.gz QEBTZXBEZKSKTC-UHFFFAOYSA-N 1 0 595.658 8.706 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000006166843 552557186 /nfs/dbraw/zinc/55/71/86/552557186.db2.gz QQWCDPKRXPERRZ-UHFFFAOYSA-N 1 0 630.103 9.208 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OCC)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166891 552557557 /nfs/dbraw/zinc/55/75/57/552557557.db2.gz OYXHDPURNHUVFQ-UHFFFAOYSA-N 1 0 625.684 8.797 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166916 552557775 /nfs/dbraw/zinc/55/77/75/552557775.db2.gz DSUUTUCXKJSTQI-UHFFFAOYSA-N 1 0 611.657 8.461 50 0 KKAARO Cc1ccc(NC(=O)c2c(SCC(=O)c3ccc(Br)cc3)n(-c3ccccc3)c3cccc[n+]32)cc1 ZINC000006184087 552562704 /nfs/dbraw/zinc/56/27/04/552562704.db2.gz YRKNXCVYBOCCIU-UHFFFAOYSA-O 1 0 557.493 6.514 50 0 KKAARO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511233 552597276 /nfs/dbraw/zinc/59/72/76/552597276.db2.gz AIYPAHQFSXORFN-SSEXGKCCSA-N 1 0 532.704 6.185 50 0 KKAARO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000008439697 553035918 /nfs/dbraw/zinc/03/59/18/553035918.db2.gz WFVVMUOCJWVLFU-AJCPBJRWSA-N 1 0 597.759 6.665 50 0 KKAARO CNC(=O)Oc1ccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448303 553055822 /nfs/dbraw/zinc/05/58/22/553055822.db2.gz LTXVPQKNWWQOSX-UHFFFAOYSA-N 1 0 598.540 6.350 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(Br)cc2)c1CSC(N)=[NH2+] ZINC000008453915 553067178 /nfs/dbraw/zinc/06/71/78/553067178.db2.gz OXPGXCQFUDLETC-UHFFFAOYSA-N 1 0 569.275 5.384 50 0 aggregator KKAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008583546 553080036 /nfs/dbraw/zinc/08/00/36/553080036.db2.gz ATDJOQCAEBRQEL-UHFFFAOYSA-N 1 0 565.784 5.349 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000008591365 553082524 /nfs/dbraw/zinc/08/25/24/553082524.db2.gz XHJLUGRZQJCBHT-XNTDXEJSSA-N 1 0 569.658 6.552 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000008596870 553091278 /nfs/dbraw/zinc/09/12/78/553091278.db2.gz BEUWHLVTRVMUQM-UHFFFAOYSA-N 1 0 556.151 5.731 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000008596995 553091681 /nfs/dbraw/zinc/09/16/81/553091681.db2.gz DOCPBWZIRZMFNX-UHFFFAOYSA-N 1 0 606.211 6.325 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597288 553092423 /nfs/dbraw/zinc/09/24/23/553092423.db2.gz WADSYOOOIPIAST-UHFFFAOYSA-N 1 0 579.692 5.659 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008597415 553092814 /nfs/dbraw/zinc/09/28/14/553092814.db2.gz DIIAZPUVHOTXPI-AREMUKBSSA-N 1 0 559.732 5.373 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597601 553093558 /nfs/dbraw/zinc/09/35/58/553093558.db2.gz RDJMEUYFOHYYET-VWLOTQADSA-N 1 0 580.150 5.718 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)c1 ZINC000008610306 553101279 /nfs/dbraw/zinc/10/12/79/553101279.db2.gz VYIYIQXHQKRQAQ-UHFFFAOYSA-N 1 0 505.732 5.092 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000008696046 553125519 /nfs/dbraw/zinc/12/55/19/553125519.db2.gz GJSVJJZDFSNHED-KAODMTDESA-N 1 0 605.827 7.058 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+](Cc3ccccc3)[C@@H]3CCCC[C@@H]3O)cc21 ZINC000008715872 553128859 /nfs/dbraw/zinc/12/88/59/553128859.db2.gz FYFSRXZMCFPCDK-LFVIRUEMSA-N 1 0 570.730 5.969 50 0 KKAARO Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717733 553129134 /nfs/dbraw/zinc/12/91/34/553129134.db2.gz IPRXCUJBXRULAJ-VWLOTQADSA-N 1 0 522.874 6.638 50 0 KKAARO Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717734 553129150 /nfs/dbraw/zinc/12/91/50/553129150.db2.gz IPRXCUJBXRULAJ-RUZDIDTESA-N 1 0 522.874 6.638 50 0 KKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCCN3CCCc4ccccc43)c(=O)cc21 ZINC000008740372 553132161 /nfs/dbraw/zinc/13/21/61/553132161.db2.gz BDHXPIOZYPESLZ-VWLOTQADSA-N 1 0 529.681 5.201 50 0 biogenic KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000008749415 553134869 /nfs/dbraw/zinc/13/48/69/553134869.db2.gz PILWNZMOVUEQJX-QTQRRKOQSA-N 1 0 622.829 7.802 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000008749407 553134932 /nfs/dbraw/zinc/13/49/32/553134932.db2.gz LINHNLOWQAVSJX-GUZYMRFCSA-N 1 0 640.800 6.894 50 0 KKAARO Oc1ccccc1C=CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccc(Br)cc3)cs2)[NH2+]1 ZINC000008754037 553135708 /nfs/dbraw/zinc/13/57/08/553135708.db2.gz XKDYHQLEYRLWDR-OSICKASQSA-N 1 0 510.335 5.809 50 0 KKAARO CC(=O)Nc1cc(C(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000008811494 553149060 /nfs/dbraw/zinc/14/90/60/553149060.db2.gz OCNSJLHGESLLNY-UHFFFAOYSA-N 1 0 501.696 6.055 50 0 KKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812693 553150040 /nfs/dbraw/zinc/15/00/40/553150040.db2.gz MGTVLFVMNIDDHR-UHFFFAOYSA-N 1 0 516.110 6.724 50 0 KKAARO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2Sc2ccc(C)cc21 ZINC000008813163 553150619 /nfs/dbraw/zinc/15/06/19/553150619.db2.gz DRFCMOSHAIMDHG-UHFFFAOYSA-N 1 0 533.141 6.586 50 0 KKAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000008911738 553184222 /nfs/dbraw/zinc/18/42/22/553184222.db2.gz PYKFCBCUHPMXLO-SANMLTNESA-N 1 0 504.744 5.591 50 0 KKAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008911810 553184520 /nfs/dbraw/zinc/18/45/20/553184520.db2.gz LFGBSVBDFSNIQS-UHFFFAOYSA-N 1 0 517.674 5.517 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C2CCCCC2)cc1OCC ZINC000008914588 553185756 /nfs/dbraw/zinc/18/57/56/553185756.db2.gz SXJBYWBJVIKRAJ-HHHXNRCGSA-N 1 0 538.729 5.872 50 0 KKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923133 553190323 /nfs/dbraw/zinc/19/03/23/553190323.db2.gz SPJXXTJDQBPIJC-MHZLTWQESA-N 1 0 527.646 6.325 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 ZINC000009229165 553223309 /nfs/dbraw/zinc/22/33/09/553223309.db2.gz OBIYAFFLRGVTIL-UHFFFAOYSA-N 1 0 506.691 5.487 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433695 553263328 /nfs/dbraw/zinc/26/33/28/553263328.db2.gz DXMUYWPFNJFQFJ-LOYHVIPDSA-N 1 0 529.750 6.388 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433700 553263656 /nfs/dbraw/zinc/26/36/56/553263656.db2.gz WFEMJSZDVAMTCD-WUFINQPMSA-N 1 0 519.711 5.983 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009462319 553268122 /nfs/dbraw/zinc/26/81/22/553268122.db2.gz BLLRUNKKUOJOSY-MHZLTWQESA-N 1 0 516.483 6.862 50 0 KKAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009614568 553290047 /nfs/dbraw/zinc/29/00/47/553290047.db2.gz RXUXRGDKJKQPLI-HKBQPEDESA-N 1 0 508.666 5.239 50 0 KKAARO O=c1c2sc3ccccc3c2nc(SCc2ccccc2F)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000009665247 553293496 /nfs/dbraw/zinc/29/34/96/553293496.db2.gz KSBYNGNDFHUJQF-UHFFFAOYSA-N 1 0 515.679 6.880 50 0 KKAARO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc(C(C)(C)C)c1O ZINC000009805957 553308686 /nfs/dbraw/zinc/30/86/86/553308686.db2.gz JCTCREUSUFSUOF-UHFFFAOYSA-N 1 0 509.710 5.687 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000010059887 553327446 /nfs/dbraw/zinc/32/74/46/553327446.db2.gz VMLQAPMTNRABKX-UHFFFAOYSA-N 1 0 502.398 5.434 50 0 KKAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000011784898 553342653 /nfs/dbraw/zinc/34/26/53/553342653.db2.gz ZSCZAUBVUNDNOL-UHFFFAOYSA-N 1 0 520.058 5.292 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000011872548 553348256 /nfs/dbraw/zinc/34/82/56/553348256.db2.gz LJRVQVGTVMTAPI-UHFFFAOYSA-N 1 0 538.635 7.236 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)C[N@@H+]1CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000011997258 553349955 /nfs/dbraw/zinc/34/99/55/553349955.db2.gz SSGSUVLYPHBJKB-VHXCZSFDSA-N 1 0 518.752 5.877 50 0 KKAARO COc1ccc(OC)c(CC(=O)N(CC[NH+](C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)c1 ZINC000012157632 553352894 /nfs/dbraw/zinc/35/28/94/553352894.db2.gz BEINXSPJKVJMRB-UHFFFAOYSA-N 1 0 511.666 5.669 50 0 KKAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)[C@H](c4ccccc4)C4CCCC4)CC3)cc2)cn1 ZINC000012219207 553354620 /nfs/dbraw/zinc/35/46/20/553354620.db2.gz RWWFCNGZERGFLC-SSEXGKCCSA-N 1 0 500.687 5.396 50 0 KKAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244720 553354804 /nfs/dbraw/zinc/35/48/04/553354804.db2.gz DGNHCIXCJZFXMA-JOCHJYFZSA-N 1 0 523.633 5.558 50 0 KKAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012246904 553354938 /nfs/dbraw/zinc/35/49/38/553354938.db2.gz WCPJLYYEQLYPGS-UHFFFAOYSA-N 1 0 529.084 5.357 50 0 KKAARO O=C(/C=C/c1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C1 ZINC000012247610 553355201 /nfs/dbraw/zinc/35/52/01/553355201.db2.gz ZHRDDCPCFRGFLZ-ZUSJUXBOSA-N 1 0 501.696 5.401 50 0 KKAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1 ZINC000012370983 553360116 /nfs/dbraw/zinc/36/01/16/553360116.db2.gz MGIDLIHAKBPUFJ-UHFFFAOYSA-N 1 0 521.612 5.069 50 0 KKAARO COc1ccc(C(=O)N2CC[NH+](C3(c4ccccc4)CCCCC3)CC2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000012371087 553360253 /nfs/dbraw/zinc/36/02/53/553360253.db2.gz DHIALTVLDRLYAU-UHFFFAOYSA-N 1 0 512.738 6.780 50 0 KKAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c2n1 ZINC000012371791 553360538 /nfs/dbraw/zinc/36/05/38/553360538.db2.gz ZMVGUKLTBJBBJZ-UHFFFAOYSA-N 1 0 521.612 5.069 50 0 KKAARO O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374695 553361036 /nfs/dbraw/zinc/36/10/36/553361036.db2.gz JVOWXDFMJFASGC-UHFFFAOYSA-N 1 0 527.566 5.281 50 0 KKAARO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2)(N(Cc2ccc(Cl)cc2)C(=O)c2cccc(F)c2)CC1 ZINC000012563934 553396049 /nfs/dbraw/zinc/39/60/49/553396049.db2.gz ANESBMIMYZZCHI-UHFFFAOYSA-N 1 0 508.037 6.003 50 0 KKAARO OC(C[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012957561 553429871 /nfs/dbraw/zinc/42/98/71/553429871.db2.gz ZPQWMVUMDYNXSG-UHFFFAOYSA-N 1 0 547.309 7.062 50 0 KKAARO Clc1ccc(CSCc2cc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc(-c3ccccc3)n2)cc1 ZINC000012960634 553430776 /nfs/dbraw/zinc/43/07/76/553430776.db2.gz ZDYPZTCBGZPVMJ-UHFFFAOYSA-N 1 0 577.197 8.142 50 0 KKAARO COc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000013543567 553469753 /nfs/dbraw/zinc/46/97/53/553469753.db2.gz PEUNWKYKBOFBPY-UHFFFAOYSA-N 1 0 531.553 6.537 50 0 KKAARO CCOC(=O)/C=C(/CSc1nc2ccccc2s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013581684 553475793 /nfs/dbraw/zinc/47/57/93/553475793.db2.gz BDKYCZSCFKLOND-DAFNUICNSA-N 1 0 529.731 6.243 50 0 KKAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014542867 553518819 /nfs/dbraw/zinc/51/88/19/553518819.db2.gz HSLQJGOFVDRLIE-UHFFFAOYSA-N 1 0 506.650 5.220 50 0 KKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014740995 553519602 /nfs/dbraw/zinc/51/96/02/553519602.db2.gz GPAZQTINFZDMGK-UHFFFAOYSA-N 1 0 510.638 5.157 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2csc(C)n2)cc1 ZINC000014983816 553523680 /nfs/dbraw/zinc/52/36/80/553523680.db2.gz JXOWQKTTZZWMHK-UHFFFAOYSA-N 1 0 506.697 5.601 50 0 KKAARO COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCC[N@H+](C)C2)C1 ZINC000014988148 553523856 /nfs/dbraw/zinc/52/38/56/553523856.db2.gz NIDMXKANZRWMFV-NRFANRHFSA-N 1 0 506.668 5.488 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996718 553524633 /nfs/dbraw/zinc/52/46/33/553524633.db2.gz OWTZSHGYDZQOGR-QFIPXVFZSA-N 1 0 508.659 5.547 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000015942422 553543589 /nfs/dbraw/zinc/54/35/89/553543589.db2.gz QSDARQQTABAUDJ-LJQANCHMSA-N 1 0 504.071 5.502 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947263 553545105 /nfs/dbraw/zinc/54/51/05/553545105.db2.gz ZQOLKVJBARGKNO-HHHXNRCGSA-N 1 0 527.646 6.326 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179222 553603029 /nfs/dbraw/zinc/60/30/29/553603029.db2.gz WMHBXXWMYYBIFY-RRAHZORUSA-N 1 0 501.602 5.254 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070672924 553603059 /nfs/dbraw/zinc/60/30/59/553603059.db2.gz UVVRCAOQNORAME-ZPXIYBMASA-N 1 0 525.862 8.816 50 0 biogenic KKAARO CSc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000019113739 553612364 /nfs/dbraw/zinc/61/23/64/553612364.db2.gz HZWSQYVUNPCGFH-QHCPKHFHSA-N 1 0 536.786 5.548 50 0 KKAARO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1ccc(C(F)(F)F)cc1 ZINC000018710085 553612453 /nfs/dbraw/zinc/61/24/53/553612453.db2.gz YABJJWZLRMPFSI-UHFFFAOYSA-N 1 0 518.421 6.932 50 0 investigational KKAARO COc1cc([C@@H]2CN3C(=O)CN(C4CC[NH+](Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070699475 553616197 /nfs/dbraw/zinc/61/61/97/553616197.db2.gz OULZYOPFULMYCC-WLMPYFOXSA-N 1 0 606.767 5.660 50 0 biogenic KKAARO CCOc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240909 553626761 /nfs/dbraw/zinc/62/67/61/553626761.db2.gz WFTYPVSRZVKVGJ-DEOSSOPVSA-N 1 0 505.659 5.327 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000020242636 553627578 /nfs/dbraw/zinc/62/75/78/553627578.db2.gz AGTBUGFVOVOTBK-DIPNUNPCSA-N 1 0 517.695 5.092 50 0 KKAARO CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019881361 553629436 /nfs/dbraw/zinc/62/94/36/553629436.db2.gz ZTPNMYXCKANCJS-UHFFFAOYSA-N 1 0 520.555 5.737 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019908810 553633172 /nfs/dbraw/zinc/63/31/72/553633172.db2.gz YBPYBFSAKCTPRK-YTTGMZPUSA-N 1 0 529.728 6.505 50 0 KKAARO CCCSc1ccccc1CN(C)N1c2ccccc2[C@](CC[NH+](CC)CC)(c2ccccc2)C1=O ZINC000071767368 553636508 /nfs/dbraw/zinc/63/65/08/553636508.db2.gz NMMQSDBRVOUTAI-HKBQPEDESA-N 1 0 501.740 6.600 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)C2=O)c1 ZINC000020355139 553640785 /nfs/dbraw/zinc/64/07/85/553640785.db2.gz IMTNXZUQBGFTMF-OFWBYEQRSA-N 1 0 525.718 6.199 50 0 KKAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355176 553640834 /nfs/dbraw/zinc/64/08/34/553640834.db2.gz HPTRKUJDNQWFPO-JBASAIQMSA-N 1 0 511.666 5.814 50 0 KKAARO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)cc3NC2=O)cc1 ZINC000020355255 553641049 /nfs/dbraw/zinc/64/10/49/553641049.db2.gz FPCZJYBXPUQWNZ-MWAVMZGNSA-N 1 0 525.718 6.155 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc3)C2=O)c1 ZINC000020355490 553641622 /nfs/dbraw/zinc/64/16/22/553641622.db2.gz GMWXSASUYHLBIY-JEZFPDEOSA-N 1 0 523.677 5.814 50 0 KKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020412773 553647097 /nfs/dbraw/zinc/64/70/97/553647097.db2.gz IBCOGKCITUYAKE-KCIBPEQQSA-N 1 0 519.129 6.505 50 0 biogenic KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079190646 553667749 /nfs/dbraw/zinc/66/77/49/553667749.db2.gz JWHCSLSSRVHCLF-KDYSTLNUSA-N 1 0 533.068 6.400 50 0 biogenic KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000020508274 553668091 /nfs/dbraw/zinc/66/80/91/553668091.db2.gz CAUBVGXGZPIDAI-IZLXSDGUSA-N 1 0 519.711 5.092 50 0 KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612101 553679747 /nfs/dbraw/zinc/67/97/47/553679747.db2.gz UPYWLQWRUNUSPT-KCIBPEQQSA-N 1 0 517.113 6.281 50 0 biogenic KKAARO O=C(CCCc1cn(C[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCCC1 ZINC000020646942 553685259 /nfs/dbraw/zinc/68/52/59/553685259.db2.gz IQGUCDVAEKREHT-UHFFFAOYSA-N 1 0 501.700 5.366 50 0 KKAARO CCOc1ccc(-c2cc(C(=O)NCCCN3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000020682295 553688195 /nfs/dbraw/zinc/68/81/95/553688195.db2.gz BABPVNXIMIVLCI-UHFFFAOYSA-N 1 0 500.687 5.371 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725010 553689951 /nfs/dbraw/zinc/68/99/51/553689951.db2.gz FPILTBPVAJCRMU-LJQANCHMSA-N 1 0 501.618 6.789 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)C2=O)cc1 ZINC000020732134 553692235 /nfs/dbraw/zinc/69/22/35/553692235.db2.gz KCEVTJFTUATZRX-LPKNDMPASA-N 1 0 537.704 6.060 50 0 KKAARO Cc1cccc(C)c1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733223 553692919 /nfs/dbraw/zinc/69/29/19/553692919.db2.gz OECDKXXFNWYZBA-UHFFFAOYSA-N 1 0 537.217 7.660 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000020733236 553692942 /nfs/dbraw/zinc/69/29/42/553692942.db2.gz LCFXIMPJDNEOCG-UHFFFAOYSA-N 1 0 523.190 7.352 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735293 553693286 /nfs/dbraw/zinc/69/32/86/553693286.db2.gz UTDVJYZONKWYOK-QICHVEDASA-N 1 0 511.691 5.889 50 0 KKAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736328 553693768 /nfs/dbraw/zinc/69/37/68/553693768.db2.gz CZKFKKVJUOWYAT-USHMODERSA-N 1 0 515.654 5.721 50 0 KKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)C1CCCCC1 ZINC000020737459 553694306 /nfs/dbraw/zinc/69/43/06/553694306.db2.gz QQOCHDNESPNGCQ-RTJYLNGCSA-N 1 0 505.728 6.268 50 0 KKAARO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c1)c1cc(Cl)ccc1O2 ZINC000020854824 553700204 /nfs/dbraw/zinc/70/02/04/553700204.db2.gz CPNOJHLUNLTWFU-UFHPHHKVSA-N 1 0 509.050 5.200 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000021163030 553709275 /nfs/dbraw/zinc/70/92/75/553709275.db2.gz KQAAWDDAOSIRBY-UHFFFAOYSA-N 1 0 501.719 5.380 50 0 KKAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000095742888 553712423 /nfs/dbraw/zinc/71/24/23/553712423.db2.gz VEPXRRGZDHCZJE-AWEZNQCLSA-N 1 0 533.102 5.785 50 0 KKAARO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCN1CC[NH+](CCCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000095862355 553714108 /nfs/dbraw/zinc/71/41/08/553714108.db2.gz NFNNAWJSSOTNTR-UHFFFAOYSA-N 1 0 675.268 5.695 50 0 KKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000095883205 553714742 /nfs/dbraw/zinc/71/47/42/553714742.db2.gz WTOGLEYHVLFHJV-SSEXGKCCSA-N 1 0 517.629 5.518 50 0 KKAARO O=c1[nH]c(CN(Cc2ccccc2C[NH+]2CCCC2)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccc(Cl)cc21 ZINC000096018672 553716342 /nfs/dbraw/zinc/71/63/42/553716342.db2.gz CRRCWJSYRVACLS-UHFFFAOYSA-N 1 0 575.500 5.265 50 0 KKAARO COC(=O)C(C)(C)c1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021991763 553722678 /nfs/dbraw/zinc/72/26/78/553722678.db2.gz PGQMZSGBFIPEKX-UHFFFAOYSA-N 1 0 513.678 5.748 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000022030390 553722959 /nfs/dbraw/zinc/72/29/59/553722959.db2.gz CCGBCMYLKHZNND-ZPGRZCPFSA-N 1 0 560.692 8.041 50 0 KKAARO S=c1n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000022036768 553723235 /nfs/dbraw/zinc/72/32/35/553723235.db2.gz NQFBNPJXHQLPMN-WJOKGBTCSA-N 1 0 575.738 6.280 50 0 KKAARO C[N@@H+]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3cccc(Cl)c3Cl)c2=S)CC1 ZINC000022039328 553723313 /nfs/dbraw/zinc/72/33/13/553723313.db2.gz DKRLSNARYHYMNN-UHFFFAOYSA-N 1 0 504.531 6.270 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(C)cc1 ZINC000096287471 553738568 /nfs/dbraw/zinc/73/85/68/553738568.db2.gz IMDCQLHQVBEWJQ-UCGGBYDDSA-N 1 0 539.764 7.155 50 0 KKAARO CCOC(=O)[C@@H]1C[C@@H]1CN1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659963 553748865 /nfs/dbraw/zinc/74/88/65/553748865.db2.gz YJVBXGFMMSQTKM-RCZVLFRGSA-N 1 0 505.486 5.306 50 0 KKAARO Fc1ccc(C(CCC[NH+]2CCN([C@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)c2ccc(F)cc2)cc1 ZINC000022789228 553750198 /nfs/dbraw/zinc/75/01/98/553750198.db2.gz BVGXOPYFUSODAF-YTTGMZPUSA-N 1 0 611.148 8.875 50 0 KKAARO Cn1c(-c2cccc3ccccc32)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000096523224 553755426 /nfs/dbraw/zinc/75/54/26/553755426.db2.gz QJOOMHZCFGBADH-UHFFFAOYSA-N 1 0 505.691 6.136 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022873404 553766051 /nfs/dbraw/zinc/76/60/51/553766051.db2.gz VHVJBTKSEFANSC-IZZNHLLZSA-N 1 0 611.584 5.705 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917906 553766757 /nfs/dbraw/zinc/76/67/57/553766757.db2.gz XHWYPQPWPCTFKL-AQOUDTPCSA-N 1 0 526.688 6.553 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000097948103 553791253 /nfs/dbraw/zinc/79/12/53/553791253.db2.gz HXCYIQZBMFYOPA-UHFFFAOYSA-N 1 0 552.469 5.209 50 0 KKAARO Cc1cccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5cccc(C)c5)nc5ccccc54)CC3)c3ccccc3n2)c1 ZINC000097949255 553800958 /nfs/dbraw/zinc/80/09/58/553800958.db2.gz OOAODAJLAOHQFE-UHFFFAOYSA-N 1 0 690.892 7.291 50 0 KKAARO COc1cccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5cccc(OC)c5)nc5ccccc54)CC3)c3ccccc3n2)c1 ZINC000097949282 553801007 /nfs/dbraw/zinc/80/10/07/553801007.db2.gz DTIYXZKWFBOTRN-UHFFFAOYSA-N 1 0 722.890 6.692 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184577 553805757 /nfs/dbraw/zinc/80/57/57/553805757.db2.gz SAVSFDPMZIGHSU-IXCJQBJRSA-N 1 0 515.455 5.105 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184663 553805837 /nfs/dbraw/zinc/80/58/37/553805837.db2.gz JGIYYOLCDWVHMV-IXCJQBJRSA-N 1 0 504.556 5.361 50 0 KKAARO CCSc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)C[C@](C)(CC)OC3 ZINC000097954555 553824087 /nfs/dbraw/zinc/82/40/87/553824087.db2.gz ZEMCTFIMANQNMK-HKBQPEDESA-N 1 0 544.790 6.956 50 0 KKAARO CC(C)Sc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000097954723 553824925 /nfs/dbraw/zinc/82/49/25/553824925.db2.gz CBRONNYXUVWYKX-UHFFFAOYSA-N 1 0 544.790 6.955 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956243 553836980 /nfs/dbraw/zinc/83/69/80/553836980.db2.gz SGDVRVNYSAPEBY-QGZVFWFLSA-N 1 0 525.310 6.017 50 0 KKAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000097956267 553837288 /nfs/dbraw/zinc/83/72/88/553837288.db2.gz VJKAHMSGZHEOIX-UHFFFAOYSA-N 1 0 536.449 5.092 50 0 KKAARO OCCN1CC[NH+](C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000028296575 553841791 /nfs/dbraw/zinc/84/17/91/553841791.db2.gz CYBJSRCFGLFQHZ-NDEPHWFRSA-N 1 0 505.662 5.099 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000028464481 553842191 /nfs/dbraw/zinc/84/21/91/553842191.db2.gz LUBFNFJQCHSSLK-YTTGMZPUSA-N 1 0 520.761 8.612 50 0 KKAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752677 553854273 /nfs/dbraw/zinc/85/42/73/553854273.db2.gz JGOSQKXKPJVRAE-CZNDPXEESA-N 1 0 567.730 5.002 50 0 KKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(Cc2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000097960005 553867558 /nfs/dbraw/zinc/86/75/58/553867558.db2.gz ROCSMWBNFKAGOT-UHFFFAOYSA-N 1 0 562.508 5.652 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963602 553892145 /nfs/dbraw/zinc/89/21/45/553892145.db2.gz WTKQFFWWDMKMQY-QZTJIDSGSA-N 1 0 561.770 5.003 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2c(Br)cc(Br)cc2Br)nc2ccc(N)cc21 ZINC000097966590 553909212 /nfs/dbraw/zinc/90/92/12/553909212.db2.gz MWIHQOMIUCPJLI-PXUDHTSWSA-N 1 0 640.262 7.592 50 0 KKAARO Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCC[NH+]3CCCCC3)c(NCc3ccc(Cl)cc3)c12 ZINC000033126584 553911097 /nfs/dbraw/zinc/91/10/97/553911097.db2.gz XHUZWSMTMXUCFG-UHFFFAOYSA-N 1 0 517.077 5.600 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000033252322 553913811 /nfs/dbraw/zinc/91/38/11/553913811.db2.gz IVYDHVZNQCENQJ-UHFFFAOYSA-N 1 0 506.075 5.251 50 0 KKAARO O[C@@H](COc1ccccc1)CN(CC[N@H+](C[C@@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353342 553924762 /nfs/dbraw/zinc/92/47/62/553924762.db2.gz BMNASIGFPCNXFN-NCRNUEESSA-N 1 0 692.900 8.049 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1OC ZINC000033354926 553932181 /nfs/dbraw/zinc/93/21/81/553932181.db2.gz XAHRKYGLZLPBKD-UHFFFAOYSA-N 1 0 569.628 5.159 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000033355698 553936463 /nfs/dbraw/zinc/93/64/63/553936463.db2.gz COUHLFJHQDMRMA-KYJUHHDHSA-N 1 0 560.739 5.439 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429026 553959740 /nfs/dbraw/zinc/95/97/40/553959740.db2.gz DMBVCXJRXPFFAC-IXCJQBJRSA-N 1 0 505.449 5.649 50 0 KKAARO CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C[NH+]2CCCC2)c1 ZINC000097973077 553968306 /nfs/dbraw/zinc/96/83/06/553968306.db2.gz CLTWNWVTOBHGEJ-XPSQVAKYSA-N 1 0 589.820 8.985 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033719357 553970180 /nfs/dbraw/zinc/97/01/80/553970180.db2.gz SYVBIEIXVXCPGA-UHFFFAOYSA-N 1 0 521.505 6.070 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)CCc2ccccc2)o1 ZINC000033776108 553973251 /nfs/dbraw/zinc/97/32/51/553973251.db2.gz VIAJYYOEKQCTHK-UHFFFAOYSA-N 1 0 515.698 5.107 50 0 KKAARO Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000033921866 553976545 /nfs/dbraw/zinc/97/65/45/553976545.db2.gz WAUATFXFOSBXQN-UHFFFAOYSA-N 1 0 501.630 5.703 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000033933715 553977641 /nfs/dbraw/zinc/97/76/41/553977641.db2.gz OQELHGRXMOMMAJ-ZMJKQRLJSA-N 1 0 510.106 7.698 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671782 553982358 /nfs/dbraw/zinc/98/23/58/553982358.db2.gz NUKYPGXWXORPRV-SZAHLOSFSA-N 1 0 518.701 6.925 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671720 553982527 /nfs/dbraw/zinc/98/25/27/553982527.db2.gz NRPXGIXNMOUMOX-ACHIHNKUSA-N 1 0 505.662 6.012 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671658 553982593 /nfs/dbraw/zinc/98/25/93/553982593.db2.gz PQQHCQBBIKIGRA-LQJZCPKCSA-N 1 0 504.674 6.617 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698405 553991177 /nfs/dbraw/zinc/99/11/77/553991177.db2.gz VKQHZIOKWUMCDC-YIXXDRMTSA-N 1 0 511.563 5.523 50 0 KKAARO Cc1ccsc1C[N@@H+]1C[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000034698831 553991480 /nfs/dbraw/zinc/99/14/80/553991480.db2.gz BAKHWBNRVAEMGS-IRPSRAIASA-N 1 0 504.715 7.195 50 0 KKAARO Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2C)[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)C1 ZINC000034698830 553991526 /nfs/dbraw/zinc/99/15/26/553991526.db2.gz BAKHWBNRVAEMGS-VAVYLYDRSA-N 1 0 504.715 7.195 50 0 KKAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000034698677 553991538 /nfs/dbraw/zinc/99/15/38/553991538.db2.gz ITTIUHJZQPCGAB-YTMVLYRLSA-N 1 0 506.687 5.493 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698846 553991551 /nfs/dbraw/zinc/99/15/51/553991551.db2.gz OQDQWEHJGKJEQU-VAVYLYDRSA-N 1 0 520.639 7.103 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699122 553991785 /nfs/dbraw/zinc/99/17/85/553991785.db2.gz CWSPZNYWOHJHMV-JYFHCDHNSA-N 1 0 518.620 6.920 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699327 553992233 /nfs/dbraw/zinc/99/22/33/553992233.db2.gz NEKMJQLHAZFCCA-FYBSXPHGSA-N 1 0 506.618 5.116 50 0 KKAARO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716782 553995673 /nfs/dbraw/zinc/99/56/73/553995673.db2.gz QOWNPVISDLPHGN-VSGBNLITSA-N 1 0 503.637 5.223 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000034716822 553995757 /nfs/dbraw/zinc/99/57/57/553995757.db2.gz GDURILCLJKJVSR-SGNDLWITSA-N 1 0 501.042 5.195 50 0 KKAARO Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716817 553995784 /nfs/dbraw/zinc/99/57/84/553995784.db2.gz UXUMWYGVNIKARA-NSOVKSMOSA-N 1 0 520.092 5.738 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Nc3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829560 554012180 /nfs/dbraw/zinc/01/21/80/554012180.db2.gz TYUSGDHFBZTXCM-UHFFFAOYSA-N 1 0 509.098 5.666 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829547 554012173 /nfs/dbraw/zinc/01/21/73/554012173.db2.gz UEXFURVRTLRJKW-UHFFFAOYSA-N 1 0 527.635 5.640 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830300 554015364 /nfs/dbraw/zinc/01/53/64/554015364.db2.gz LYTUNMVFZHHQPS-RXFWQSSRSA-N 1 0 508.087 5.031 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830382 554015421 /nfs/dbraw/zinc/01/54/21/554015421.db2.gz LUEMCUCYSZVCBV-KDYSTLNUSA-N 1 0 522.114 5.421 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(C(F)(F)F)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831317 554016995 /nfs/dbraw/zinc/01/69/95/554016995.db2.gz FVCOFDANOCQXEW-UHFFFAOYSA-N 1 0 531.598 5.531 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)CCc1ccccc1 ZINC000034834459 554018839 /nfs/dbraw/zinc/01/88/39/554018839.db2.gz MQKVAHWJNYOJNH-UHFFFAOYSA-N 1 0 505.682 5.079 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834988 554019385 /nfs/dbraw/zinc/01/93/85/554019385.db2.gz PHOBOOVLTQUJEG-HXUWFJFHSA-N 1 0 528.528 6.070 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)C1CCCCC1 ZINC000034835311 554019501 /nfs/dbraw/zinc/01/95/01/554019501.db2.gz MUWYYFDWUNQKNP-UHFFFAOYSA-N 1 0 511.730 5.669 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)COc1ccccc1 ZINC000034835329 554019524 /nfs/dbraw/zinc/01/95/24/554019524.db2.gz IYDJYYOWEGAEMC-UHFFFAOYSA-N 1 0 535.708 5.168 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034835014 554019547 /nfs/dbraw/zinc/01/95/47/554019547.db2.gz ULFDVYOTBKNBRI-DEOSSOPVSA-N 1 0 509.698 5.917 50 0 KKAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000034912334 554029372 /nfs/dbraw/zinc/02/93/72/554029372.db2.gz BMLCSGUEZNKANY-SANMLTNESA-N 1 0 513.604 5.216 50 0 KKAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000097995646 554036442 /nfs/dbraw/zinc/03/64/42/554036442.db2.gz CKOGHWLEGQROAK-UHFFFAOYSA-N 1 0 552.469 5.209 50 0 KKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397148 554047472 /nfs/dbraw/zinc/04/74/72/554047472.db2.gz SJJBDRLEVFJDTL-UHFFFAOYSA-N 1 0 501.071 5.772 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(Br)cc1)=N2 ZINC000035397210 554047749 /nfs/dbraw/zinc/04/77/49/554047749.db2.gz MBXYPSVTLIRGKO-UHFFFAOYSA-N 1 0 519.896 5.488 50 0 KKAARO FC(F)(Cl)Oc1ccc(Nc2nc(N3CCCCC3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000098005060 554056563 /nfs/dbraw/zinc/05/65/63/554056563.db2.gz JSCALTLISSYHLD-UHFFFAOYSA-N 1 0 574.120 5.864 50 0 KKAARO Cc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707384 554065213 /nfs/dbraw/zinc/06/52/13/554065213.db2.gz LCJAEQUDHBRBIB-UHFFFAOYSA-N 1 0 525.697 6.024 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000098009761 554070786 /nfs/dbraw/zinc/07/07/86/554070786.db2.gz YYYZYHPVXBGFJZ-HVIPQOSHSA-N 1 0 555.763 6.856 50 0 KKAARO Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(C)cc1 ZINC000035775509 554073839 /nfs/dbraw/zinc/07/38/39/554073839.db2.gz ASUVERBKZDJCEV-UHFFFAOYSA-N 1 0 504.700 5.524 50 0 KKAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840645 554080354 /nfs/dbraw/zinc/08/03/54/554080354.db2.gz CIJLPTXUZLNAFG-LJAQVGFWSA-N 1 0 504.715 6.417 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842581 554080895 /nfs/dbraw/zinc/08/08/95/554080895.db2.gz QKJGMSOXOMQNMG-WJOKGBTCSA-N 1 0 539.764 6.352 50 0 KKAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871442 554085922 /nfs/dbraw/zinc/08/59/22/554085922.db2.gz XGMJJTFICUCZKJ-AHKZPQOWSA-N 1 0 511.563 5.067 50 0 KKAARO CCn1cc([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872204 554086558 /nfs/dbraw/zinc/08/65/58/554086558.db2.gz VXQHRRFXLCMXGP-SUYBVONHSA-N 1 0 525.737 7.602 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+]3CCCCC3)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000035872477 554086998 /nfs/dbraw/zinc/08/69/98/554086998.db2.gz VKDPNYSYGMYGET-HKBQPEDESA-N 1 0 523.721 7.140 50 0 KKAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1cccc(C)c1C ZINC000098012337 554089823 /nfs/dbraw/zinc/08/98/23/554089823.db2.gz XZCQUIUZSFVCHM-JGCGQSQUSA-N 1 0 583.758 5.012 50 0 KKAARO Cn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891747 554090892 /nfs/dbraw/zinc/09/08/92/554090892.db2.gz TUQIKDLLJBALHE-HHHXNRCGSA-N 1 0 519.611 6.500 50 0 KKAARO O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908062 554092316 /nfs/dbraw/zinc/09/23/16/554092316.db2.gz CHRHPKPBYVNEJL-NVQXNPDNSA-N 1 0 515.526 5.528 50 0 KKAARO COc1ccc(OC)c(C[N@@H+]2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035924673 554097059 /nfs/dbraw/zinc/09/70/59/554097059.db2.gz APJRRILKPTUEKY-UHFFFAOYSA-N 1 0 514.674 5.052 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCC[N@H+](Cc4cccs4)CC3)c12 ZINC000035924712 554097358 /nfs/dbraw/zinc/09/73/58/554097358.db2.gz RCEUENLQRXQEQT-UHFFFAOYSA-N 1 0 508.695 5.797 50 0 KKAARO COc1ccc(C[N@@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925669 554097906 /nfs/dbraw/zinc/09/79/06/554097906.db2.gz MZKHRDVQOCPUDE-UHFFFAOYSA-N 1 0 504.638 5.127 50 0 KKAARO CC(C)CN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 ZINC000035945008 554102383 /nfs/dbraw/zinc/10/23/83/554102383.db2.gz NLQQUDXBWWFNTD-UHFFFAOYSA-N 1 0 508.682 5.393 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)CCc2ccccc2)cc1OC ZINC000098019825 554114728 /nfs/dbraw/zinc/11/47/28/554114728.db2.gz XMIMRVJWYACMFF-UHFFFAOYSA-N 1 0 575.750 5.124 50 0 KKAARO COC(=O)c1cccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020070 554116528 /nfs/dbraw/zinc/11/65/28/554116528.db2.gz BKJXVUMTXYULQB-UHFFFAOYSA-N 1 0 580.556 6.991 50 0 KKAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000098047180 554147649 /nfs/dbraw/zinc/14/76/49/554147649.db2.gz IEVPOPFDRONSMY-XMMPIXPASA-N 1 0 543.458 5.240 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000098048136 554159833 /nfs/dbraw/zinc/15/98/33/554159833.db2.gz ZSUJSMCCRSKRMU-HSZRJFAPSA-N 1 0 571.357 5.541 50 0 KKAARO Cc1cccc(Oc2cnn(-c3ccccc3Cl)c(=O)c2Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000036084817 554175609 /nfs/dbraw/zinc/17/56/09/554175609.db2.gz AFBMIRUCVKCXRH-UHFFFAOYSA-N 1 0 518.017 5.022 50 0 KKAARO O=C(NC1(c2ccccc2)CC1)c1c2ccc(Br)cc2nc(-c2cccc(C(F)(F)F)c2)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000098052705 554176316 /nfs/dbraw/zinc/17/63/16/554176316.db2.gz UIVOZBSCHXCGPS-UHFFFAOYSA-N 1 0 691.636 8.553 50 0 in-vitro KKAARO CS(=O)(=O)c1ccc(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100001477 554177489 /nfs/dbraw/zinc/17/74/89/554177489.db2.gz WTBJZYOGFUQCPA-UHFFFAOYSA-N 1 0 530.612 5.416 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146367 554198214 /nfs/dbraw/zinc/19/82/14/554198214.db2.gz JTVUCQXNNMSOLD-ZEQRLZLVSA-N 1 0 517.428 5.705 50 0 KKAARO COc1cc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)cc(OC)c1 ZINC000036203694 554200967 /nfs/dbraw/zinc/20/09/67/554200967.db2.gz QTQGJSIRYLBSCS-UHFFFAOYSA-N 1 0 507.577 6.270 50 0 KKAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C(=S)Nc1ccc(F)cc1 ZINC000036249074 554209977 /nfs/dbraw/zinc/20/99/77/554209977.db2.gz DLGOOMMTFLFPHS-UHFFFAOYSA-N 1 0 529.685 5.804 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305196 554214821 /nfs/dbraw/zinc/21/48/21/554214821.db2.gz AUWCUDOATMYMCH-RUZDIDTESA-N 1 0 518.057 6.185 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036304908 554214885 /nfs/dbraw/zinc/21/48/85/554214885.db2.gz FLDVMXRNQGQICX-NDEPHWFRSA-N 1 0 511.666 6.242 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305265 554215467 /nfs/dbraw/zinc/21/54/67/554215467.db2.gz ZBQWXVFAFVLXGY-HHHXNRCGSA-N 1 0 529.681 5.924 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307264 554215868 /nfs/dbraw/zinc/21/58/68/554215868.db2.gz SBSBNXNZKXERSP-VWLOTQADSA-N 1 0 501.602 5.670 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316073 554219700 /nfs/dbraw/zinc/21/97/00/554219700.db2.gz USSMCBOWIAXEKC-AZGAKELHSA-N 1 0 507.675 5.345 50 0 KKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341150 554220493 /nfs/dbraw/zinc/22/04/93/554220493.db2.gz VKOHHUUQZKVHLP-LJAQVGFWSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc(OC)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341672 554220856 /nfs/dbraw/zinc/22/08/56/554220856.db2.gz WOWWEACVOBCZJG-GDLZYMKVSA-N 1 0 515.629 5.475 50 0 KKAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120824 554224115 /nfs/dbraw/zinc/22/41/15/554224115.db2.gz WRJVFYCWAFKQGZ-GDLZYMKVSA-N 1 0 533.697 5.877 50 0 KKAARO CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C3=O)cc1 ZINC000037000959 554230477 /nfs/dbraw/zinc/23/04/77/554230477.db2.gz YYXNDEXCXKDAPD-DVIHYUSWSA-N 1 0 547.788 5.534 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C\c2ccc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000100190856 554244841 /nfs/dbraw/zinc/24/48/41/554244841.db2.gz TVHDODZRGVWAPS-HOFZKYPUSA-N 1 0 580.796 7.901 50 0 KKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000037524149 554250004 /nfs/dbraw/zinc/25/00/04/554250004.db2.gz WMWYVHAYEHDZTQ-UHSQPCAPSA-N 1 0 526.618 7.167 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000037525529 554250533 /nfs/dbraw/zinc/25/05/33/554250533.db2.gz ATZOIVJHDINZQB-UHFFFAOYSA-N 1 0 529.512 5.093 50 0 KKAARO O=P1(NCCC[n+]2ccn(Cc3nc4ccccc4[nH]3)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000037868894 554258518 /nfs/dbraw/zinc/25/85/18/554258518.db2.gz ZKARCPMGZKBRAL-UHFFFAOYSA-N 1 0 522.569 5.985 50 0 KKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc21 ZINC000038139153 554259371 /nfs/dbraw/zinc/25/93/71/554259371.db2.gz IWWLCALWBJNSIU-UHFFFAOYSA-N 1 0 566.749 5.114 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)CC3)s2)cc1 ZINC000038139233 554259550 /nfs/dbraw/zinc/25/95/50/554259550.db2.gz RVQRYHKCQGCGKZ-ZEQRLZLVSA-N 1 0 579.815 5.040 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4CC)CC3)s2)cc1 ZINC000038139225 554259589 /nfs/dbraw/zinc/25/95/89/554259589.db2.gz AAFSCBARLTYFOK-AREMUKBSSA-N 1 0 579.815 5.327 50 0 KKAARO CCN1c2cc(OC)ccc2S/C1=C/C=C1\CCCC(/C=C/c2sc3ccc(OC)cc3[n+]2CC)=C1C ZINC000039440302 554279398 /nfs/dbraw/zinc/27/93/98/554279398.db2.gz XMKXJZZMZNDCEP-UHFFFAOYSA-N 1 0 531.767 8.140 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000049625577 554324171 /nfs/dbraw/zinc/32/41/71/554324171.db2.gz SQHWUCVCWKDAIS-JMRYHUDMSA-N 1 0 541.739 6.976 50 0 KKAARO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 ZINC000052595963 554329600 /nfs/dbraw/zinc/32/96/00/554329600.db2.gz QYTDELRIMFHZQO-RDGATRHJSA-N 1 0 509.050 5.450 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371817 554348153 /nfs/dbraw/zinc/34/81/53/554348153.db2.gz DKGDGKXWDACQSD-DIPNUNPCSA-N 1 0 538.113 5.519 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371827 554348181 /nfs/dbraw/zinc/34/81/81/554348181.db2.gz WYQUSSDOWUPEFO-LHEWISCISA-N 1 0 552.140 5.909 50 0 KKAARO COc1ccc([C@@H]2C[NH2+][C@](C)(c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390742 554348435 /nfs/dbraw/zinc/34/84/35/554348435.db2.gz IALDDJYIZAGUBA-GMCHKSTQSA-N 1 0 537.685 6.284 50 0 KKAARO COc1ccc([C@H]2C[NH2+][C@](C)(c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390747 554348646 /nfs/dbraw/zinc/34/86/46/554348646.db2.gz IALDDJYIZAGUBA-AKGWNBJDSA-N 1 0 537.685 6.284 50 0 KKAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000057222794 554352670 /nfs/dbraw/zinc/35/26/70/554352670.db2.gz QDTZQDXZGGRZFH-UHFFFAOYSA-N 1 0 508.018 5.100 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000057223017 554353046 /nfs/dbraw/zinc/35/30/46/554353046.db2.gz MEJDSFKPUDWPCE-UHFFFAOYSA-N 1 0 501.627 5.225 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000100405069 554373267 /nfs/dbraw/zinc/37/32/67/554373267.db2.gz MQEUXDMUSWNBBK-UHFFFAOYSA-N 1 0 535.644 5.627 50 0 KKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(Br)cc4C)ccc3n2)CC1 ZINC000059514702 554401557 /nfs/dbraw/zinc/40/15/57/554401557.db2.gz SANXVBNZPFXQOR-UHFFFAOYSA-N 1 0 538.490 5.113 50 0 KKAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785693 554430390 /nfs/dbraw/zinc/43/03/90/554430390.db2.gz DEXFPUZLJYSAEO-WEZPGDKASA-N 1 0 527.624 5.417 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000100818176 554478450 /nfs/dbraw/zinc/47/84/50/554478450.db2.gz CTEKIXLVBLENDR-UHFFFAOYSA-N 1 0 530.675 5.697 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2c(cccc2C)s1 ZINC000060209895 554503652 /nfs/dbraw/zinc/50/36/52/554503652.db2.gz PJACXIBTQUMBQR-UHFFFAOYSA-N 1 0 550.750 5.414 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)cc2Cl)o1 ZINC000100883962 554508067 /nfs/dbraw/zinc/50/80/67/554508067.db2.gz JKBQFPRQAXWUPT-UHFFFAOYSA-N 1 0 556.534 6.094 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)sc3nc2c1Cl ZINC000065330820 554526182 /nfs/dbraw/zinc/52/61/82/554526182.db2.gz JBSSTZCYEOPNSA-UHFFFAOYSA-N 1 0 508.087 6.186 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccccc5Cl)CC4)sc3nc2c1Cl ZINC000065330836 554526276 /nfs/dbraw/zinc/52/62/76/554526276.db2.gz WTLWTJCAJXZNKA-UHFFFAOYSA-N 1 0 514.478 6.407 50 0 KKAARO Cc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987436 554548625 /nfs/dbraw/zinc/54/86/25/554548625.db2.gz JMFMRYMHVVWDKJ-TYDKCCNCSA-N 1 0 530.524 8.043 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064457 554571668 /nfs/dbraw/zinc/57/16/68/554571668.db2.gz DSFLXWSYLKLABO-GCDSYTDFSA-N 1 0 556.460 5.081 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098462 554585508 /nfs/dbraw/zinc/58/55/08/554585508.db2.gz CIHIKSQWZCLWSS-IDISGSTGSA-N 1 0 566.565 5.530 50 0 KKAARO CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@H](c2ccc(OCC)cc2)[NH2+][C@@H]3c2ccc(OCC)cc2)cc1 ZINC000101104895 554639880 /nfs/dbraw/zinc/63/98/80/554639880.db2.gz KEVVQDVLUNYZPF-CLBVNFDJSA-N 1 0 620.790 7.554 50 0 KKAARO COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C3C(=O)C2[C@H](c2ccc(OC)cc2)[NH2+][C@@H]3c2ccc(OC)cc2)cc1 ZINC000101118645 554643617 /nfs/dbraw/zinc/64/36/17/554643617.db2.gz SJYGOTYPICEFKJ-LLSWJAHXSA-N 1 0 564.682 5.994 50 0 KKAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101193037 554671291 /nfs/dbraw/zinc/67/12/91/554671291.db2.gz SYSZFUAPSBPEEM-UHFFFAOYSA-N 1 0 598.147 5.614 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc2[nH+]c2c1CCCC2 ZINC000101193501 554671620 /nfs/dbraw/zinc/67/16/20/554671620.db2.gz OKDDMNBVWZZHTP-UHFFFAOYSA-N 1 0 505.540 7.066 50 0 KKAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000101216277 554683221 /nfs/dbraw/zinc/68/32/21/554683221.db2.gz BJCMEXIXRUNJSQ-MUUNZHRXSA-N 1 0 626.223 5.744 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216564 554684035 /nfs/dbraw/zinc/68/40/35/554684035.db2.gz DHIUETCIWRHBJC-NDEPHWFRSA-N 1 0 626.610 5.545 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc21 ZINC000101222501 554687604 /nfs/dbraw/zinc/68/76/04/554687604.db2.gz NUWKSBCYUBDHOZ-VWLOTQADSA-N 1 0 546.664 5.013 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc21 ZINC000101222496 554687637 /nfs/dbraw/zinc/68/76/37/554687637.db2.gz NUWKSBCYUBDHOZ-RUZDIDTESA-N 1 0 546.664 5.013 50 0 KKAARO CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1)c1cccc(C)c1 ZINC000101226168 554688720 /nfs/dbraw/zinc/68/87/20/554688720.db2.gz GGTFJDFYKGXPKD-KKLWWLSJSA-N 1 0 579.716 6.656 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000101330630 554731292 /nfs/dbraw/zinc/73/12/92/554731292.db2.gz UEGWJWWIABDQHL-UHFFFAOYSA-N 1 0 593.127 5.308 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352148 554738476 /nfs/dbraw/zinc/73/84/76/554738476.db2.gz HCDMVSUBPVKYQB-GPOMZPHUSA-N 1 0 595.784 5.782 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)CC1 ZINC000101357796 554740904 /nfs/dbraw/zinc/74/09/04/554740904.db2.gz ZXAHEEJSRXFQBT-UHFFFAOYSA-N 1 0 540.071 5.095 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000101372258 554744713 /nfs/dbraw/zinc/74/47/13/554744713.db2.gz MBSHDLKWUCHVNE-VAMRJTSQSA-N 1 0 541.667 6.177 50 0 KKAARO CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc21 ZINC000101374226 554745825 /nfs/dbraw/zinc/74/58/25/554745825.db2.gz RETWHJNSSLPZEA-SWKFRHMKSA-N 1 0 560.163 6.524 50 0 KKAARO CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101374465 554746175 /nfs/dbraw/zinc/74/61/75/554746175.db2.gz OZGWOPNKYSVPSZ-USHMODERSA-N 1 0 598.666 5.896 50 0 KKAARO O=C(c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000101377270 554746919 /nfs/dbraw/zinc/74/69/19/554746919.db2.gz NLVOHZUIBJEOHG-UHFFFAOYSA-N 1 0 532.113 6.407 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)cs3)n2)c(OC)c1 ZINC000101378254 554747342 /nfs/dbraw/zinc/74/73/42/554747342.db2.gz RXGUCKFJONMYEH-HRAATJIYSA-N 1 0 549.619 5.026 50 0 KKAARO C[N@H+](CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000101381609 554748515 /nfs/dbraw/zinc/74/85/15/554748515.db2.gz CHJATMATCZOTDK-GJHDBBOXSA-N 1 0 584.163 6.342 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386109 554751011 /nfs/dbraw/zinc/75/10/11/554751011.db2.gz ROIRYERHUJQZFL-CMVGPNDKSA-N 1 0 612.771 6.348 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386233 554751507 /nfs/dbraw/zinc/75/15/07/554751507.db2.gz TYYREJHFKQVTIJ-WHMAPKLYSA-N 1 0 622.810 6.755 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386203 554751533 /nfs/dbraw/zinc/75/15/33/554751533.db2.gz NUWQCCWWFGRSRO-BIMVPBQRSA-N 1 0 623.817 6.943 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386246 554751736 /nfs/dbraw/zinc/75/17/36/554751736.db2.gz OICWGDKCYXFDBU-HKFHRXRESA-N 1 0 592.784 6.747 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391601 554755006 /nfs/dbraw/zinc/75/50/06/554755006.db2.gz XOOCRHPVAVPKRB-GRKNLSHJSA-N 1 0 576.619 5.538 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416113 554765096 /nfs/dbraw/zinc/76/50/96/554765096.db2.gz ZUJVEUBXNUQCIQ-FGZHOGPDSA-N 1 0 580.150 5.431 50 0 KKAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)c(C)n3n2)c(OC)c1 ZINC000101419089 554766691 /nfs/dbraw/zinc/76/66/91/554766691.db2.gz LEGLRJXDHXPJEU-UHFFFAOYSA-N 1 0 555.723 5.034 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000101455143 554776985 /nfs/dbraw/zinc/77/69/85/554776985.db2.gz SXXNDJCQUXRWOZ-RRHRGVEJSA-N 1 0 557.760 6.015 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506303 554789851 /nfs/dbraw/zinc/78/98/51/554789851.db2.gz PBGVXHQIWAAALS-GIBOGKFOSA-N 1 0 569.815 7.615 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc3)C2=O)c1 ZINC000101506257 554789921 /nfs/dbraw/zinc/78/99/21/554789921.db2.gz WADWWPYMBDTOBC-IBTHDSTKSA-N 1 0 603.832 8.014 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506513 554790187 /nfs/dbraw/zinc/79/01/87/554790187.db2.gz SQHQIPOQFHYTQU-VAMRJTSQSA-N 1 0 541.761 6.835 50 0 KKAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)C1CCCCC1 ZINC000101506568 554790484 /nfs/dbraw/zinc/79/04/84/554790484.db2.gz DFDIEPQRYGBSCM-SJVWPHNPSA-N 1 0 565.758 7.125 50 0 KKAARO COc1ccc(-n2cc(C(=O)NCCC[N@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3c2=O)cc1 ZINC000101617000 554806170 /nfs/dbraw/zinc/80/61/70/554806170.db2.gz HWHJDXUHNMMLSZ-BKZGZDJESA-N 1 0 541.692 6.039 50 0 KKAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617762 554806411 /nfs/dbraw/zinc/80/64/11/554806411.db2.gz MRCUCPRDJPJKLX-XZWHSSHBSA-N 1 0 545.749 6.516 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)c1 ZINC000101617919 554806437 /nfs/dbraw/zinc/80/64/37/554806437.db2.gz SYXQMQSCOLPHNI-JSOSNVBQSA-N 1 0 558.792 5.630 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101618676 554806933 /nfs/dbraw/zinc/80/69/33/554806933.db2.gz FXZDDLBXFPVEOS-ZWXJPIIXSA-N 1 0 570.803 5.917 50 0 KKAARO Cc1c(Cl)cccc1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000101634779 554812617 /nfs/dbraw/zinc/81/26/17/554812617.db2.gz RNQHJSPECXSXLD-UHFFFAOYSA-N 1 0 557.635 8.005 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637115 554813363 /nfs/dbraw/zinc/81/33/63/554813363.db2.gz KRIXOKLRGDHBEF-LAKKEJQSSA-N 1 0 619.806 7.580 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)C2=O)c1 ZINC000101637060 554813377 /nfs/dbraw/zinc/81/33/77/554813377.db2.gz GFNLKZBVYRBIGX-LPKNDMPASA-N 1 0 553.772 6.773 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637510 554813696 /nfs/dbraw/zinc/81/36/96/554813696.db2.gz QEPHRFFVCNSZOH-QOKVKHORSA-N 1 0 574.190 7.404 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101671309 554824643 /nfs/dbraw/zinc/82/46/43/554824643.db2.gz SNYJBURTIYPEDF-BANVDVKSSA-N 1 0 556.062 5.452 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101686897 554829675 /nfs/dbraw/zinc/82/96/75/554829675.db2.gz SIGJXRPSEANONV-USHMODERSA-N 1 0 615.121 6.167 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101688734 554830197 /nfs/dbraw/zinc/83/01/97/554830197.db2.gz NCNIOFFJLGWNRG-SWKFRHMKSA-N 1 0 560.163 6.281 50 0 KKAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000101688596 554830264 /nfs/dbraw/zinc/83/02/64/554830264.db2.gz NAPNXZWAYXDYCE-SXBRIOAWSA-N 1 0 539.745 5.936 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101688592 554830283 /nfs/dbraw/zinc/83/02/83/554830283.db2.gz QZJMSEQKVZAERF-USHMODERSA-N 1 0 581.569 5.802 50 0 KKAARO CSc1cccc(NC(=O)CC[C@H]2CN(Cc3ccccn3)CC[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000101754750 554835835 /nfs/dbraw/zinc/83/58/35/554835835.db2.gz JBZRMTWOJYPGPV-QABMSTFYSA-N 1 0 597.751 6.254 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101865852 554845120 /nfs/dbraw/zinc/84/51/20/554845120.db2.gz WVVWSVHYKLDFFH-HSZRJFAPSA-N 1 0 563.743 5.604 50 0 KKAARO Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000101908868 554849170 /nfs/dbraw/zinc/84/91/70/554849170.db2.gz GFPAKUSUQRRQRS-AREMUKBSSA-N 1 0 585.818 6.303 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)Cc2cc(OC)ccc2OC)cc1 ZINC000101950716 554853049 /nfs/dbraw/zinc/85/30/49/554853049.db2.gz JGCKIYSWPZNGCN-UHFFFAOYSA-N 1 0 559.732 5.782 50 0 KKAARO Cc1cc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957618 554853284 /nfs/dbraw/zinc/85/32/84/554853284.db2.gz ZCPWPQGOGFMQLB-NDEPHWFRSA-N 1 0 538.692 5.636 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000101979757 554863594 /nfs/dbraw/zinc/86/35/94/554863594.db2.gz ZNOOPHULBMEETJ-CONSDPRKSA-N 1 0 572.775 5.309 50 0 KKAARO COc1ccc(CNC(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102040839 554869602 /nfs/dbraw/zinc/86/96/02/554869602.db2.gz DONJQOYUORNANO-GMCHKSTQSA-N 1 0 594.722 5.823 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(\C=C\C1=[N+](C)c2ccc3ccccc3c2C1(C)C)c1ccccc1 ZINC000102042084 554869818 /nfs/dbraw/zinc/86/98/18/554869818.db2.gz VLUBFNGAKZNRFN-UHFFFAOYSA-N 1 0 559.777 9.950 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000102050838 554871234 /nfs/dbraw/zinc/87/12/34/554871234.db2.gz WBFSLCYZEWWMLR-PMERELPUSA-N 1 0 573.778 6.165 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084846 554876271 /nfs/dbraw/zinc/87/62/71/554876271.db2.gz VNLWYPCISHMONB-NDEPHWFRSA-N 1 0 574.102 7.007 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000102102993 554882044 /nfs/dbraw/zinc/88/20/44/554882044.db2.gz LGSRWZQPSDLOHH-JGCGQSQUSA-N 1 0 553.791 6.598 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000102102965 554882048 /nfs/dbraw/zinc/88/20/48/554882048.db2.gz XFFPCSSFGXLHQG-WJOKGBTCSA-N 1 0 604.235 7.088 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000102102934 554882064 /nfs/dbraw/zinc/88/20/64/554882064.db2.gz WFTSUUYZMALHMX-UHFFFAOYSA-N 1 0 556.965 7.858 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2)CC1 ZINC000102132872 554887068 /nfs/dbraw/zinc/88/70/68/554887068.db2.gz VQNNOGGYSZXNIS-UHFFFAOYSA-N 1 0 561.702 5.304 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136032 554887779 /nfs/dbraw/zinc/88/77/79/554887779.db2.gz PFYCXLBTXSSNCF-LXFBAYGMSA-N 1 0 541.589 5.531 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102145028 554889330 /nfs/dbraw/zinc/88/93/30/554889330.db2.gz UIYJCNHFOFRNBG-RRPNLBNLSA-N 1 0 525.624 5.251 50 0 KKAARO COc1cc(NC(=O)CC[C@H]2C[N@@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000102239990 554902552 /nfs/dbraw/zinc/90/25/52/554902552.db2.gz UPSJKMJNANSABA-RBISFHTESA-N 1 0 562.677 5.362 50 0 KKAARO COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 ZINC000102243920 554903314 /nfs/dbraw/zinc/90/33/14/554903314.db2.gz LMSNFGRKOFRCMV-UHFFFAOYSA-N 1 0 535.895 5.106 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254104 554904262 /nfs/dbraw/zinc/90/42/62/554904262.db2.gz RGYKOMQVFFEZHE-CCLHPLFOSA-N 1 0 556.559 6.074 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102312563 554910036 /nfs/dbraw/zinc/91/00/36/554910036.db2.gz LKFLRVNEZBCEAP-WUFINQPMSA-N 1 0 580.729 5.110 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000102402786 554920093 /nfs/dbraw/zinc/92/00/93/554920093.db2.gz JXJKVZHWEJWVDU-IGYGKHONSA-N 1 0 546.800 5.717 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](Cc2ccccc2)C1 ZINC000102408074 554922574 /nfs/dbraw/zinc/92/25/74/554922574.db2.gz SRSSCEIEOCQIQV-WUFINQPMSA-N 1 0 520.677 5.092 50 0 KKAARO Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 ZINC000102435855 554928041 /nfs/dbraw/zinc/92/80/41/554928041.db2.gz WZOOQDCEVWBNND-UHFFFAOYSA-N 1 0 566.752 6.353 50 0 KKAARO FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000102467957 554935909 /nfs/dbraw/zinc/93/59/09/554935909.db2.gz AKTRUFFRYKLPSC-VWLOTQADSA-N 1 0 554.435 6.586 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000102602002 554977961 /nfs/dbraw/zinc/97/79/61/554977961.db2.gz UULKQYNYICGLSP-PMERELPUSA-N 1 0 557.691 5.353 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 ZINC000102604705 554978436 /nfs/dbraw/zinc/97/84/36/554978436.db2.gz YYZGGTGGVSQTIC-HXUWFJFHSA-N 1 0 548.757 5.012 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 ZINC000102604708 554978464 /nfs/dbraw/zinc/97/84/64/554978464.db2.gz YYZGGTGGVSQTIC-FQEVSTJZSA-N 1 0 548.757 5.012 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(Br)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679325 555005000 /nfs/dbraw/zinc/00/50/00/555005000.db2.gz BXUKCSDKIHKLPZ-SANMLTNESA-N 1 0 600.554 5.393 50 0 KKAARO O=C(CSc1nc2c3ccccc3sc2c(=O)n1C1CC[NH+](Cc2ccccc2)CC1)NC1CCCC1 ZINC000102728259 555022579 /nfs/dbraw/zinc/02/25/79/555022579.db2.gz ORQAOAQDWPIGMF-UHFFFAOYSA-N 1 0 532.735 5.599 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000102748145 555042149 /nfs/dbraw/zinc/04/21/49/555042149.db2.gz XBLQPYODUNULTQ-VQJSHJPSSA-N 1 0 584.141 6.062 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000102766109 555054999 /nfs/dbraw/zinc/05/49/99/555054999.db2.gz QICYJTVBRNHKCX-USHMODERSA-N 1 0 534.125 6.237 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)cc3)C2=O)cc1 ZINC000102770844 555058155 /nfs/dbraw/zinc/05/81/55/555058155.db2.gz VHXUYCOOBNNXKI-NXEFEZKASA-N 1 0 599.775 7.036 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771923 555060973 /nfs/dbraw/zinc/06/09/73/555060973.db2.gz KRGMKJLWAHSKGQ-UHFFFAOYSA-N 1 0 560.698 6.623 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787160 555068003 /nfs/dbraw/zinc/06/80/03/555068003.db2.gz FBJSPDULSNATLP-HSZRJFAPSA-N 1 0 552.115 6.785 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc2)C1=O ZINC000102787451 555068008 /nfs/dbraw/zinc/06/80/08/555068008.db2.gz GOYRJIYVMNQWSX-KVQDIILNSA-N 1 0 602.804 6.223 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787850 555068325 /nfs/dbraw/zinc/06/83/25/555068325.db2.gz WVSOIRKWHGSDBF-UOZKZNBHSA-N 1 0 615.843 7.750 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791620 555069245 /nfs/dbraw/zinc/06/92/45/555069245.db2.gz UMYHAAGYTFKFNZ-NUEXKLDSSA-N 1 0 553.772 7.058 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000102825634 555077438 /nfs/dbraw/zinc/07/74/38/555077438.db2.gz CDUPZRNDUXJOET-RRPNLBNLSA-N 1 0 520.677 5.092 50 0 KKAARO COc1ccc(-c2cccc(-c3nc(C[N@@H+]4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC ZINC000102830536 555078410 /nfs/dbraw/zinc/07/84/10/555078410.db2.gz UKRVWVTXEJBPTJ-AREMUKBSSA-N 1 0 584.826 8.645 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)CSc1ccccc1 ZINC000102838401 555080405 /nfs/dbraw/zinc/08/04/05/555080405.db2.gz UXCMTBVUCNMDJU-UHFFFAOYSA-N 1 0 539.742 5.441 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102843905 555084084 /nfs/dbraw/zinc/08/40/84/555084084.db2.gz NYUDNNDZEZYLFM-CLYVBNDRSA-N 1 0 560.522 5.905 50 0 KKAARO Ic1ccc(N=[P@@](c2ccccc2)([C@@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000102945690 555171686 /nfs/dbraw/zinc/17/16/86/555171686.db2.gz HPCVIMORDGQJLI-UTONBFNKSA-N 1 0 577.447 5.465 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102953151 555173259 /nfs/dbraw/zinc/17/32/59/555173259.db2.gz YXEIYUQEXLYKMY-UHFFFAOYSA-N 1 0 537.603 5.898 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103002143 555201729 /nfs/dbraw/zinc/20/17/29/555201729.db2.gz CTAJWSNPWCGOIY-OWLPFRGLSA-N 1 0 532.015 5.045 50 0 KKAARO Cc1ccc(NC(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)cc1 ZINC000103035168 555222404 /nfs/dbraw/zinc/22/24/04/555222404.db2.gz AHTCDWJLLAQSDK-PMERELPUSA-N 1 0 574.791 6.315 50 0 KKAARO CCCCCc1ccc(C(=O)Oc2ccc(-c3nc4ccc(Br)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000103061435 555242596 /nfs/dbraw/zinc/24/25/96/555242596.db2.gz UOTRPUBQULFBGD-UHFFFAOYSA-N 1 0 590.562 8.469 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(F)(F)F)c1 ZINC000103072347 555252223 /nfs/dbraw/zinc/25/22/23/555252223.db2.gz ISZLJUAQHPEGED-UHFFFAOYSA-N 1 0 590.517 8.367 50 0 KKAARO CSc1ccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000103113292 555286363 /nfs/dbraw/zinc/28/63/63/555286363.db2.gz PEFZVRAADOGMRW-UHFFFAOYSA-N 1 0 557.764 6.437 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000103124919 555293011 /nfs/dbraw/zinc/29/30/11/555293011.db2.gz WYGJDEYUHXVZBL-KMFVSHEXSA-N 1 0 576.656 5.072 50 0 KKAARO COC(=O)CCCCCCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000103184324 555330411 /nfs/dbraw/zinc/33/04/11/555330411.db2.gz UCJWZRJHACYTDB-UHFFFAOYSA-N 1 0 558.645 6.004 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190343 555333151 /nfs/dbraw/zinc/33/31/51/555333151.db2.gz QVRWSQYDIQXACY-ABYGYWHVSA-N 1 0 553.625 5.888 50 0 KKAARO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103204604 555338759 /nfs/dbraw/zinc/33/87/59/555338759.db2.gz GNVYSLWFVCJBOJ-YTTGMZPUSA-N 1 0 569.790 6.325 50 0 KKAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252357 555344502 /nfs/dbraw/zinc/34/45/02/555344502.db2.gz DAHQMVXFKNDONZ-AFPLUKJUSA-N 1 0 623.798 5.667 50 0 KKAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000103355150 555363837 /nfs/dbraw/zinc/36/38/37/555363837.db2.gz WAIGUKDIRPFYEY-SSEXGKCCSA-N 1 0 543.683 5.970 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355302 555364033 /nfs/dbraw/zinc/36/40/33/555364033.db2.gz RFNCQQRMQIRZNF-DGWMSVCXSA-N 1 0 545.793 5.670 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435283 555417726 /nfs/dbraw/zinc/41/77/26/555417726.db2.gz GPYPMTXZOSLUGD-RCZVLFRGSA-N 1 0 534.544 6.889 50 0 KKAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000103439031 555418849 /nfs/dbraw/zinc/41/88/49/555418849.db2.gz PLGGPWWWHDZTFT-UHFFFAOYSA-N 1 0 538.519 6.585 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000103578552 555451187 /nfs/dbraw/zinc/45/11/87/555451187.db2.gz SKPOOLAPFIGVPI-DLLPINGYSA-N 1 0 593.765 5.769 50 0 KKAARO FC(F)Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000103623434 555457052 /nfs/dbraw/zinc/45/70/52/555457052.db2.gz GWNGXBUPMMDDPN-XMMPIXPASA-N 1 0 554.435 6.586 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727472 555465580 /nfs/dbraw/zinc/46/55/80/555465580.db2.gz WDOSKLSDJSTYEX-VMPREFPWSA-N 1 0 513.707 5.536 50 0 KKAARO Cc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248331722 562881616 /nfs/dbraw/zinc/88/16/16/562881616.db2.gz HTVNOZMEKLYJJG-WMKRSEKRSA-N 1 0 513.597 5.163 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101304323 571361284 /nfs/dbraw/zinc/36/12/84/571361284.db2.gz WAMUCDUULIFERN-CXNUKBDRSA-N 1 0 540.619 5.985 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288106 571361538 /nfs/dbraw/zinc/36/15/38/571361538.db2.gz BHTAONNSBUPQGY-HATVSKDLSA-N 1 0 554.646 6.457 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288142 571361590 /nfs/dbraw/zinc/36/15/90/571361590.db2.gz UYDGXMBPUCJLHT-KHLUAOTOSA-N 1 0 560.675 6.519 50 0 KKAARO O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1ccc(Cl)cc1 ZINC000104170599 571376028 /nfs/dbraw/zinc/37/60/28/571376028.db2.gz NGZOSZZCEAMNQV-UHFFFAOYSA-N 1 0 542.532 6.461 50 0 KKAARO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962685 571388587 /nfs/dbraw/zinc/38/85/87/571388587.db2.gz MTGSXIHYCJSSAY-QUCCMNQESA-N 1 0 509.569 5.155 50 0 KKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105000799 571389061 /nfs/dbraw/zinc/38/90/61/571389061.db2.gz QIMXNGXATPZSKZ-AUSIDOKSSA-N 1 0 502.055 5.633 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105041443 571390170 /nfs/dbraw/zinc/39/01/70/571390170.db2.gz QUHIANOGRRULSF-LEAFIULHSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042223 571390202 /nfs/dbraw/zinc/39/02/02/571390202.db2.gz CNTXCCWOMMLYHD-WNCULLNHSA-N 1 0 516.579 6.760 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000105060434 571390712 /nfs/dbraw/zinc/39/07/12/571390712.db2.gz CIHIKSQWZCLWSS-ZBLYBZFDSA-N 1 0 566.565 5.530 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000105060411 571390788 /nfs/dbraw/zinc/39/07/88/571390788.db2.gz MNYODBKMFQHKQZ-BTYSJIOQSA-N 1 0 507.744 5.424 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000105060487 571390845 /nfs/dbraw/zinc/39/08/45/571390845.db2.gz FWZPRJIMSLCVPB-DNOBIOAJSA-N 1 0 575.537 6.296 50 0 KKAARO COc1ccc([C@H]2CC(=O)[C@@H]([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348477 571412135 /nfs/dbraw/zinc/41/21/35/571412135.db2.gz ZQUBRKJSKNTGGQ-AKAGGGOCSA-N 1 0 528.958 5.675 50 0 KKAARO COc1ccc([C@H]2CC(=O)[C@H]([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348471 571412205 /nfs/dbraw/zinc/41/22/05/571412205.db2.gz ZQUBRKJSKNTGGQ-HKTJVKLFSA-N 1 0 528.958 5.675 50 0 KKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000106419860 571412446 /nfs/dbraw/zinc/41/24/46/571412446.db2.gz KSLGMIVDLDZALJ-DEOSSOPVSA-N 1 0 526.356 5.902 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000107385952 571420012 /nfs/dbraw/zinc/42/00/12/571420012.db2.gz RFNCQQRMQIRZNF-ZAMHBHJCSA-N 1 0 545.793 5.670 50 0 KKAARO CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4c(c3)CC[NH2+]C4)c(F)c2)ccn1 ZINC000117818463 571443347 /nfs/dbraw/zinc/44/33/47/571443347.db2.gz PMRLOUDIAGOBHB-UHFFFAOYSA-N 1 0 557.630 5.146 50 0 KKAARO CCCOc1ccc(C[NH+]2CCC([C@@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3OC)CC2)cc1 ZINC000136992168 571449895 /nfs/dbraw/zinc/44/98/95/571449895.db2.gz ZNEZLTCCHRVKIG-PMERELPUSA-N 1 0 559.625 6.539 50 0 KKAARO CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=C\C1=C/C(=C\c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000139569612 571453201 /nfs/dbraw/zinc/45/32/01/571453201.db2.gz RKQWDPHYQAWTMI-UHFFFAOYSA-N 1 0 545.772 9.322 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389238 571471646 /nfs/dbraw/zinc/47/16/46/571471646.db2.gz KSDOPAKAIVDWHJ-LICLKQGHSA-N 1 0 684.195 10.422 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389226 571471669 /nfs/dbraw/zinc/47/16/69/571471669.db2.gz WUIMDMRZDTWEBW-RVDMUPIBSA-N 1 0 695.775 9.279 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396137 571476215 /nfs/dbraw/zinc/47/62/15/571476215.db2.gz GRHGIWBEULFGSU-MUUNZHRXSA-N 1 0 640.637 5.541 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150396103 571476248 /nfs/dbraw/zinc/47/62/48/571476248.db2.gz HWAWYDAEOFZDMI-WJOKGBTCSA-N 1 0 664.272 5.676 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396367 571476503 /nfs/dbraw/zinc/47/65/03/571476503.db2.gz TXZUBJCYGZJXDA-LJAQVGFWSA-N 1 0 652.192 5.199 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150396511 571476574 /nfs/dbraw/zinc/47/65/74/571476574.db2.gz BSVDOXBONOXZEZ-JGCGQSQUSA-N 1 0 667.703 7.458 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150396508 571476600 /nfs/dbraw/zinc/47/66/00/571476600.db2.gz KJHCZVNSRWMCSC-HKBQPEDESA-N 1 0 668.691 6.321 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150396523 571476624 /nfs/dbraw/zinc/47/66/24/571476624.db2.gz RIKAKCAUSMEISA-MHZLTWQESA-N 1 0 665.474 6.843 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000150396518 571476644 /nfs/dbraw/zinc/47/66/44/571476644.db2.gz RSASTBQSEVOFEW-MHZLTWQESA-N 1 0 649.019 6.329 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000150414616 571485085 /nfs/dbraw/zinc/48/50/85/571485085.db2.gz RNHKBOGCVNNKCL-LJAQVGFWSA-N 1 0 664.228 5.069 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150644175 571525009 /nfs/dbraw/zinc/52/50/09/571525009.db2.gz LLOMTMXQLYGCNY-GOJCVTOHSA-N 1 0 715.861 7.593 50 0 KKAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680360 571556772 /nfs/dbraw/zinc/55/67/72/571556772.db2.gz JUYMECFYFTYQJZ-GGXMVOPNSA-N 1 0 536.738 5.276 50 0 KKAARO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169681772 571557454 /nfs/dbraw/zinc/55/74/54/571557454.db2.gz DCQJUZJAQYDLIF-KCWXNJEJSA-N 1 0 534.701 5.552 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681828 571557676 /nfs/dbraw/zinc/55/76/76/571557676.db2.gz XGMJJTFICUCZKJ-VPUSJEBWSA-N 1 0 511.563 5.067 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000169784772 571560391 /nfs/dbraw/zinc/56/03/91/571560391.db2.gz KSEILDOPDXTUFS-KFCPHXPSSA-N 1 0 551.131 5.202 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000169784799 571560393 /nfs/dbraw/zinc/56/03/93/571560393.db2.gz URMPANRMSSDWFV-KFCPHXPSSA-N 1 0 595.582 5.311 50 0 KKAARO O=C1c2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)N1CCCn1ccnc1 ZINC000222157611 571604777 /nfs/dbraw/zinc/60/47/77/571604777.db2.gz HZXBRCFEDOCBBP-MUUNZHRXSA-N 1 0 552.476 6.193 50 0 in-vitro KKAARO Clc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1Cl ZINC000261491804 572110256 /nfs/dbraw/zinc/11/02/56/572110256.db2.gz KPGPFORSLWIOBK-UHFFFAOYSA-N 1 0 551.507 5.548 50 0 KKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)Cc3ccsc3)cc12 ZINC000299794094 572137266 /nfs/dbraw/zinc/13/72/66/572137266.db2.gz IBILWKIWEXLRBF-UHFFFAOYSA-N 1 0 503.668 5.422 50 0 KKAARO CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc(OC)c2)N2C=Cc3ccccc3[C@@H]2[C@]12c1ccccc1NC2=O ZINC000230032044 572180054 /nfs/dbraw/zinc/18/00/54/572180054.db2.gz AQRNOAMLJKHOFE-XMFJDCMESA-N 1 0 570.645 6.076 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000230029160 572180079 /nfs/dbraw/zinc/18/00/79/572180079.db2.gz RPUKYEYTCDNLPT-RWJVBYDYSA-N 1 0 563.416 5.090 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230076644 572182591 /nfs/dbraw/zinc/18/25/91/572182591.db2.gz UPJCCALPMBAUFV-IZLXSDGUSA-N 1 0 503.712 5.713 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000230077037 572182966 /nfs/dbraw/zinc/18/29/66/572182966.db2.gz DQWOZLGJVALEIT-RVQNBHMFSA-N 1 0 558.792 5.710 50 0 KKAARO Cc1cccc(NC(=O)[C@H](C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280448 572224765 /nfs/dbraw/zinc/22/47/65/572224765.db2.gz QMTCUQUMPWAUCA-UHSQPCAPSA-N 1 0 502.611 5.099 50 0 KKAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1OC ZINC000245309689 572227500 /nfs/dbraw/zinc/22/75/00/572227500.db2.gz FLHKCCSOWHLZHB-WUFINQPMSA-N 1 0 509.650 6.117 50 0 KKAARO CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329980 572236083 /nfs/dbraw/zinc/23/60/83/572236083.db2.gz WARVGSLSCXFBEQ-AHKZPQOWSA-N 1 0 525.665 5.525 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245330409 572236496 /nfs/dbraw/zinc/23/64/96/572236496.db2.gz YGVLIVLQCUTCGO-ONOMSOESSA-N 1 0 519.686 5.160 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000245343320 572238037 /nfs/dbraw/zinc/23/80/37/572238037.db2.gz LUEMCUCYSZVCBV-JIPXPUAJSA-N 1 0 522.114 5.421 50 0 KKAARO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343272 572238247 /nfs/dbraw/zinc/23/82/47/572238247.db2.gz KBOITOQUUWEKPB-PIIWDFAUSA-N 1 0 552.741 5.712 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343379 572238459 /nfs/dbraw/zinc/23/84/59/572238459.db2.gz NDXPHCQJFPTDEB-WUIMFCPGSA-N 1 0 527.734 5.257 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343403 572238663 /nfs/dbraw/zinc/23/86/63/572238663.db2.gz NYUDNNDZEZYLFM-DNOBIOAJSA-N 1 0 560.522 5.905 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000245343544 572238940 /nfs/dbraw/zinc/23/89/40/572238940.db2.gz RGYKOMQVFFEZHE-NFQMXDRXSA-N 1 0 556.559 6.074 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481990 572242374 /nfs/dbraw/zinc/24/23/74/572242374.db2.gz JJTFHGQBRPEFSK-JOCHJYFZSA-N 1 0 517.471 5.359 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489591 572242421 /nfs/dbraw/zinc/24/24/21/572242421.db2.gz LXDOBCPACMYBJP-JOCHJYFZSA-N 1 0 507.465 5.920 50 0 KKAARO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504645 572242803 /nfs/dbraw/zinc/24/28/03/572242803.db2.gz RDXQSARHZNOSNV-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521095 572242878 /nfs/dbraw/zinc/24/28/78/572242878.db2.gz XJAXTKHHAOUVRO-FQEVSTJZSA-N 1 0 521.434 5.456 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726615 572243846 /nfs/dbraw/zinc/24/38/46/572243846.db2.gz DRLIOSCWJRJHGA-VWLOTQADSA-N 1 0 595.541 7.218 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734154 572244045 /nfs/dbraw/zinc/24/40/45/572244045.db2.gz JRWHFSAXCAYLPH-GOSISDBHSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739851 572244146 /nfs/dbraw/zinc/24/41/46/572244146.db2.gz NFRRAOIOKKXVDM-SFHVURJKSA-N 1 0 568.313 6.401 50 0 KKAARO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737803 572244208 /nfs/dbraw/zinc/24/42/08/572244208.db2.gz LVJJGECIKPXQRE-GOSISDBHSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754747 572244622 /nfs/dbraw/zinc/24/46/22/572244622.db2.gz WNICLMRSUCSYHR-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247758773 572244722 /nfs/dbraw/zinc/24/47/22/572244722.db2.gz ZCPQVKWUKDDWQR-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826160 572245621 /nfs/dbraw/zinc/24/56/21/572245621.db2.gz JGXOCHKFLKKATN-QFIPXVFZSA-N 1 0 655.424 6.291 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847212 572246326 /nfs/dbraw/zinc/24/63/26/572246326.db2.gz HKVKIARSJWROSW-QHCPKHFHSA-N 1 0 580.535 6.091 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247867310 572246748 /nfs/dbraw/zinc/24/67/48/572246748.db2.gz BHPQXGWUAADBSP-RUZDIDTESA-N 1 0 591.678 5.673 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867240 572246796 /nfs/dbraw/zinc/24/67/96/572246796.db2.gz BGERCDNRNGNUHN-RUZDIDTESA-N 1 0 504.634 6.097 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867246 572246921 /nfs/dbraw/zinc/24/69/21/572246921.db2.gz BGERCDNRNGNUHN-VWLOTQADSA-N 1 0 504.634 6.097 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869307 572247123 /nfs/dbraw/zinc/24/71/23/572247123.db2.gz QCZVVRHAUQNQQT-PMERELPUSA-N 1 0 587.743 6.310 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000247874649 572247479 /nfs/dbraw/zinc/24/74/79/572247479.db2.gz SOKPWDCDBFMGSM-HSZRJFAPSA-N 1 0 558.524 5.349 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875872 572247563 /nfs/dbraw/zinc/24/75/63/572247563.db2.gz NWHZGQIHQJPDQE-OAQYLSRUSA-N 1 0 655.424 6.291 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877050 572247747 /nfs/dbraw/zinc/24/77/47/572247747.db2.gz UKNDYFJDGAXMEF-QFIPXVFZSA-N 1 0 532.063 5.379 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247881309 572247790 /nfs/dbraw/zinc/24/77/90/572247790.db2.gz VSALLOTZMOVXMY-RUZDIDTESA-N 1 0 528.100 5.299 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885023 572248382 /nfs/dbraw/zinc/24/83/82/572248382.db2.gz SRUNXSHMUHYJHG-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919880 572249456 /nfs/dbraw/zinc/24/94/56/572249456.db2.gz XGXPKAGJUKAIKQ-OAQYLSRUSA-N 1 0 533.470 5.325 50 0 KKAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247921724 572249610 /nfs/dbraw/zinc/24/96/10/572249610.db2.gz YBRKITHYQRTRLJ-OAQYLSRUSA-N 1 0 533.470 5.325 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247924261 572249675 /nfs/dbraw/zinc/24/96/75/572249675.db2.gz YVANHRDAMSFUEQ-QHCPKHFHSA-N 1 0 547.497 5.384 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000247934191 572249807 /nfs/dbraw/zinc/24/98/07/572249807.db2.gz RPUKYEYTCDNLPT-CAFXQFFASA-N 1 0 563.416 5.090 50 0 KKAARO O=C(c1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000248004369 572251867 /nfs/dbraw/zinc/25/18/67/572251867.db2.gz SGVWOOUXZZGSKK-LUIYPFIDSA-N 1 0 565.456 6.975 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033270 572252854 /nfs/dbraw/zinc/25/28/54/572252854.db2.gz YHAJZGRGDPSNIC-HXUWFJFHSA-N 1 0 514.501 5.485 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[N@@H+]5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089785 572253410 /nfs/dbraw/zinc/25/34/10/572253410.db2.gz MHDRXGOVDKXBQJ-PKTZIBPZSA-N 1 0 516.686 5.282 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248118024 572254129 /nfs/dbraw/zinc/25/41/29/572254129.db2.gz QLNSDPDISZWENL-DEOSSOPVSA-N 1 0 511.645 5.034 50 0 KKAARO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117842 572254150 /nfs/dbraw/zinc/25/41/50/572254150.db2.gz CAWYTZWQSARKTQ-HSZRJFAPSA-N 1 0 588.550 5.357 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124673 572254439 /nfs/dbraw/zinc/25/44/39/572254439.db2.gz HBNCXBWIWBXCLK-QHCPKHFHSA-N 1 0 588.550 5.357 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126174 572254496 /nfs/dbraw/zinc/25/44/96/572254496.db2.gz UWHGQZGOXKYVSK-XMMPIXPASA-N 1 0 511.645 5.034 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1F ZINC000248132527 572254799 /nfs/dbraw/zinc/25/47/99/572254799.db2.gz LMOZLHGQLLMZBV-FUABUCQOSA-N 1 0 579.027 6.469 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154736 572255751 /nfs/dbraw/zinc/25/57/51/572255751.db2.gz YGUOXEUPVQIVIQ-IGYGKHONSA-N 1 0 512.694 6.138 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152948 572255807 /nfs/dbraw/zinc/25/58/07/572255807.db2.gz KNFYZLOWBBUDMA-VWLOTQADSA-N 1 0 525.672 5.342 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156198 572255960 /nfs/dbraw/zinc/25/59/60/572255960.db2.gz IOJSFOKYYCHIOW-RVFYRNJKSA-N 1 0 656.864 7.531 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000248199000 572256653 /nfs/dbraw/zinc/25/66/53/572256653.db2.gz SXAGVEHGYUSQRE-BKZIBCHUSA-N 1 0 562.497 5.555 50 0 KKAARO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250205 572257182 /nfs/dbraw/zinc/25/71/82/572257182.db2.gz IPGGCZWBQGQORS-WPDIDDKXSA-N 1 0 566.654 5.426 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248264798 572257534 /nfs/dbraw/zinc/25/75/34/572257534.db2.gz XKMMYWSSKCSTQC-NVQXNPDNSA-N 1 0 518.620 6.920 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248271389 572257635 /nfs/dbraw/zinc/25/76/35/572257635.db2.gz ZPDPGUJIQJJTSK-BVAGGSTKSA-N 1 0 500.630 6.781 50 0 KKAARO CCc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923436 572259552 /nfs/dbraw/zinc/25/95/52/572259552.db2.gz BQIOMTNMJQCPGM-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000251999719 572259640 /nfs/dbraw/zinc/25/96/40/572259640.db2.gz MAESCUSNYDMNOD-RUZDIDTESA-N 1 0 525.672 5.288 50 0 KKAARO CC(C)c1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000252077948 572259899 /nfs/dbraw/zinc/25/98/99/572259899.db2.gz DOKFVNFLZLCPAG-UHFFFAOYSA-N 1 0 531.498 6.762 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257110 572260043 /nfs/dbraw/zinc/26/00/43/572260043.db2.gz MXTDDQFIHPJAEE-SANMLTNESA-N 1 0 539.699 5.678 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccccc1 ZINC000252586664 572265627 /nfs/dbraw/zinc/26/56/27/572265627.db2.gz RQLLBFHXZIPOAD-QCKGDGSFSA-N 1 0 633.233 5.282 50 0 KKAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253414822 572289073 /nfs/dbraw/zinc/28/90/73/572289073.db2.gz YSHZWGBIDMJDRG-YSGOPFFRSA-N 1 0 588.749 5.102 50 0 KKAARO Cc1ccc([C@H]2CC(c3cccc(N(C)C)c3)=[NH+]N2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000253429901 572289377 /nfs/dbraw/zinc/28/93/77/572289377.db2.gz DLSSABDSAUDJEW-SSEXGKCCSA-N 1 0 518.064 7.680 50 0 KKAARO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479655 572289984 /nfs/dbraw/zinc/28/99/84/572289984.db2.gz RQUMINIXJUZQHT-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)N2CCC[C@@H]2[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000253488032 572291180 /nfs/dbraw/zinc/29/11/80/572291180.db2.gz VUIKFZDLADUMFA-JJUMQRNRSA-N 1 0 566.872 5.970 50 0 KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504423 572296626 /nfs/dbraw/zinc/29/66/26/572296626.db2.gz CPJHDWYZEVQMHG-GHFACZADSA-N 1 0 553.784 6.286 50 0 KKAARO CN(C)c1ccc(-c2cc(-c3ccccc3)[n+](C[C@@]3(O)CC[C@@H]4[C@@H]5CC[C@@]6(C)CCCC[C@]6(C)[C@@H]5CC[C@@]43C)c(-c3ccccc3)c2)cc1 ZINC000253522712 572297734 /nfs/dbraw/zinc/29/77/34/572297734.db2.gz NVBRMCWACQRTTK-YDDDGICESA-N 1 0 653.975 10.595 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253531192 572298781 /nfs/dbraw/zinc/29/87/81/572298781.db2.gz UVVRCAOQNORAME-GHQXUOFESA-N 1 0 525.862 8.816 50 0 KKAARO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@@H]32)[N@H+](C)C1 ZINC000257359383 572322146 /nfs/dbraw/zinc/32/21/46/572322146.db2.gz ZXIDTTGVCKUJNE-PXWDYGGNSA-N 1 0 767.001 6.929 50 0 KKAARO COc1ccc([C@@](O)([C@@H](C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734252 1069837894 /nfs/dbraw/zinc/83/78/94/1069837894.db2.gz NCHYNYKOJPQQIY-SLPFEWDZSA-N 1 0 609.254 8.308 50 0 KKAARO COc1ccc([C@@](O)([C@H](C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734253 1069837507 /nfs/dbraw/zinc/83/75/07/1069837507.db2.gz NCHYNYKOJPQQIY-XCEDALPCSA-N 1 0 609.254 8.308 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410426 1069857028 /nfs/dbraw/zinc/85/70/28/1069857028.db2.gz XUKSNNQMMSTVND-VWLOTQADSA-N 1 0 547.621 6.817 50 0 KKAARO COCc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)o1 ZINC000102658011 1069861297 /nfs/dbraw/zinc/86/12/97/1069861297.db2.gz ISWQEMJGPWYIEA-NRFANRHFSA-N 1 0 552.977 6.113 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1 ZINC000102702425 1069864132 /nfs/dbraw/zinc/86/41/32/1069864132.db2.gz JMXWSESMZYWKSY-DITALETJSA-N 1 0 537.679 5.496 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1/C(=C/C=C/C1=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC1)CCC2 ZINC000685944220 1070939955 /nfs/dbraw/zinc/93/99/55/1070939955.db2.gz CIIFVJLXULHOGI-RNCKAMPDSA-N 1 0 622.832 11.084 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C/C1=C/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)C[C@H](C(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000685944622 1070944271 /nfs/dbraw/zinc/94/42/71/1070944271.db2.gz QJORIRWNNAUHSH-UHFFFAOYSA-N 1 0 791.207 11.357 50 0 KKAARO CN1C(c2ccccc2)=CC(=C/C=C/c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)C=C1c1ccccc1 ZINC000685944660 1070945078 /nfs/dbraw/zinc/94/50/78/1070945078.db2.gz ZFVDVBGQBHWXIS-UHFFFAOYSA-N 1 0 529.707 8.812 50 0 KKAARO CC[n+]1c(/C=C2/C=C(/C=C3\C=Cc4cc(OC)ccc4N3CC)CC(C)(C)C2)sc2cc(SC)c(OC)cc21 ZINC000685944521 1070942501 /nfs/dbraw/zinc/94/25/01/1070942501.db2.gz KTKIQIAQHZFBLR-UHFFFAOYSA-N 1 0 559.821 8.515 50 0 KKAARO CCN1c2ccc(OC)cc2C=C/C1=C\C=C1\CCCC(/C=C/c2ccc3cc(OC)ccc3[n+]2CC)=C1Cl ZINC000685944793 1070946211 /nfs/dbraw/zinc/94/62/11/1070946211.db2.gz YPSQOJDXTBHGBN-UHFFFAOYSA-N 1 0 540.127 8.218 50 0 KKAARO CCN1c2ccc(Cl)cc2SC1=CC1=CC2=CC(=Cc3sc4c([n+]3CC)CCC(Cl)=C4)CC[C@H]2CC1 ZINC000685944511 1070942595 /nfs/dbraw/zinc/94/25/95/1070942595.db2.gz KRFSJYRIHCDRJL-OAQYLSRUSA-N 1 0 554.632 9.340 50 0 KKAARO CCN1c2c(ccc3ccccc23)S/C1=C\C1=CC2=CC3=C/C(=C/c4sc5ccc6ccccc6c5[n+]4CC)CC[C@@H]3C[C@@H]2CC1 ZINC000685944772 1070946251 /nfs/dbraw/zinc/94/62/51/1070946251.db2.gz WEXXOYHVOWTNEL-MEKGRNQZSA-N 1 0 635.922 11.375 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370196 1070962170 /nfs/dbraw/zinc/96/21/70/1070962170.db2.gz RLTCJDAEMNMABT-WWYHPTGPSA-N 1 0 568.673 6.764 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3ccc4ccccc4c3)CN1Cc1cccc(Cl)c1)CC2 ZINC000299770576 1071048017 /nfs/dbraw/zinc/04/80/17/1071048017.db2.gz SJAMVJCMMBCPGU-CONSDPRKSA-N 1 0 570.133 5.828 50 0 KKAARO COc1ccc(OC)c(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000299776790 1071048796 /nfs/dbraw/zinc/04/87/96/1071048796.db2.gz HGBVXCBZGPOXEY-OAQYLSRUSA-N 1 0 536.694 5.496 50 0 KKAARO CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088490 1071055789 /nfs/dbraw/zinc/05/57/89/1071055789.db2.gz BXGUDOIYUCZSJM-PEAQOHSKSA-N 1 0 648.845 5.214 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000299758768 1071128196 /nfs/dbraw/zinc/12/81/96/1071128196.db2.gz MZNSWQZUIHPKFS-LJQANCHMSA-N 1 0 531.575 5.340 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000199294578 1071136227 /nfs/dbraw/zinc/13/62/27/1071136227.db2.gz GQHQEIRYOITZME-LOSJGSFVSA-N 1 0 534.635 5.853 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(Cc2nc4ccccc4n2C)C3)s1 ZINC000011784916 1071231375 /nfs/dbraw/zinc/23/13/75/1071231375.db2.gz ZBEDQHAAJJEJSQ-JOCHJYFZSA-N 1 0 516.711 5.725 50 0 KKAARO C[C@H]([NH2+]Cc1cc2cc3c(cc2nc1N1CCN(c2cccc(Cl)c2)CC1)OCO3)c1cccs1 ZINC000012246978 1071240090 /nfs/dbraw/zinc/24/00/90/1071240090.db2.gz FCCZQWUDXSQTHR-SFHVURJKSA-N 1 0 507.059 5.856 50 0 KKAARO Cc1nc(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)cs1 ZINC000014955271 1071245201 /nfs/dbraw/zinc/24/52/01/1071245201.db2.gz PDYWSKWKGZMOMX-FQEVSTJZSA-N 1 0 526.102 5.456 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1 ZINC000014951120 1071245250 /nfs/dbraw/zinc/24/52/50/1071245250.db2.gz ZZJKJGRMRDMFCE-UHFFFAOYSA-N 1 0 514.666 6.870 50 0 KKAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)CC1 ZINC000581784011 1071289490 /nfs/dbraw/zinc/28/94/90/1071289490.db2.gz WAZHOIDLMHEZPD-UHFFFAOYSA-N 1 0 503.647 5.011 50 0 KKAARO COc1ccc(C2(C[NH2+]C[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@H](C)C[C@]6(C)[C@@H]5CC[C@]43C)CCCC2)cc1OC ZINC000253612761 1072842602 /nfs/dbraw/zinc/84/26/02/1072842602.db2.gz UZOQIYJAFLJWLY-BHDGBJLCSA-N 1 0 595.865 6.519 50 0 KKAARO N#CC1C(=S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(I)c1 ZINC000254305577 1072846298 /nfs/dbraw/zinc/84/62/98/1072846298.db2.gz JGBVALJFVXWYQO-WEWMWRJBSA-O 1 0 562.456 5.170 50 0 KKAARO CCOC(=O)C(=NNc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000254760903 1072877506 /nfs/dbraw/zinc/87/75/06/1072877506.db2.gz CBKBUCQPNNTPRX-UHFFFAOYSA-N 1 0 545.005 6.055 50 0 KKAARO CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000254770686 1072878368 /nfs/dbraw/zinc/87/83/68/1072878368.db2.gz DZKDKGHEWGVLDO-UHFFFAOYSA-N 1 0 511.453 5.689 50 0 KKAARO COc1cccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000014977707 1072894292 /nfs/dbraw/zinc/89/42/92/1072894292.db2.gz IPUXYZHUKIELJR-NRFANRHFSA-N 1 0 506.668 5.488 50 0 KKAARO COc1ccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000014998282 1072895943 /nfs/dbraw/zinc/89/59/43/1072895943.db2.gz KGQBZFZVCAXQKP-NRFANRHFSA-N 1 0 506.668 5.488 50 0 KKAARO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC001529513718 1072925141 /nfs/dbraw/zinc/92/51/41/1072925141.db2.gz IDKAKZRYYDCJDU-YHLHTICGSA-N 1 0 562.513 5.303 50 0 KKAARO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000000639580 551506900 /nfs/dbraw/zinc/50/69/00/551506900.db2.gz DFPFJDYKYMTSJK-NRFANRHFSA-N 1 0 571.313 5.138 50 0 KKAARO O=C(C[NH2+]CCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000002072935 551748055 /nfs/dbraw/zinc/74/80/55/551748055.db2.gz IAWONNRNRRMXDV-UHFFFAOYSA-N 1 0 512.473 5.413 50 0 KKAARO CCOC(=O)c1c2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2n(-c2ccc(Br)cc2)c1C[NH+](C)C ZINC000002075165 551749736 /nfs/dbraw/zinc/74/97/36/551749736.db2.gz GQWVDPDGDJTZPN-UHFFFAOYSA-N 1 0 571.493 5.707 50 0 KKAARO CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc1 ZINC000002092587 551759294 /nfs/dbraw/zinc/75/92/94/551759294.db2.gz SBYRWCGEUZZDJO-WNJJXGMVSA-N 1 0 512.698 5.285 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002152023 551779018 /nfs/dbraw/zinc/77/90/18/551779018.db2.gz HBKUIGBREOGUIE-BZKUTMRRSA-N 1 0 542.768 6.269 50 0 biogenic KKAARO COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1F)N1NC=NC1=N2 ZINC000002246499 551799821 /nfs/dbraw/zinc/79/98/21/551799821.db2.gz AHHAEFZVLADZFX-RPWUZVMVSA-N 1 0 505.347 5.401 50 0 KKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000002295728 552089188 /nfs/dbraw/zinc/08/91/88/552089188.db2.gz CRLYVRMLZVMLFI-GDLZYMKVSA-N 1 0 516.642 5.141 50 0 KKAARO COc1cc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654161 552147990 /nfs/dbraw/zinc/14/79/90/552147990.db2.gz YKDGTSAUMCIKQF-NGQVCNFZSA-N 1 0 563.019 8.252 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040207 552272728 /nfs/dbraw/zinc/27/27/28/552272728.db2.gz BYFZVJYXQPYNMP-UHFFFAOYSA-N 1 0 543.777 7.041 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040388 552272745 /nfs/dbraw/zinc/27/27/45/552272745.db2.gz HYRYVPHYYSVIJW-UHFFFAOYSA-N 1 0 515.723 6.549 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040393 552272807 /nfs/dbraw/zinc/27/28/07/552272807.db2.gz AUPYSTCBHLLOIY-UHFFFAOYSA-N 1 0 563.767 7.337 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000003061304 552282114 /nfs/dbraw/zinc/28/21/14/552282114.db2.gz OPCNUAUQIIIFHX-PPFNPFNJSA-N 1 0 573.762 7.069 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003061901 552282667 /nfs/dbraw/zinc/28/26/67/552282667.db2.gz JLDUQNUMGKYYKK-UHFFFAOYSA-N 1 0 566.123 5.329 50 0 KKAARO COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@H+]2C)cc1OCc1ccccc1 ZINC000003124418 552291331 /nfs/dbraw/zinc/29/13/31/552291331.db2.gz KPLQJTFFMWUSLS-GDLZYMKVSA-N 1 0 509.646 6.634 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000003268715 552331013 /nfs/dbraw/zinc/33/10/13/552331013.db2.gz DEZKKHQYVLMBTL-NRFANRHFSA-N 1 0 543.303 5.503 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)c12 ZINC000003432781 552385772 /nfs/dbraw/zinc/38/57/72/552385772.db2.gz HGRVCFCAXSKKJH-UHFFFAOYSA-N 1 0 543.096 6.115 50 0 KKAARO COc1ccc([C@@H](CNC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)[NH+]2CCCC2)cc1 ZINC000003504461 552390708 /nfs/dbraw/zinc/39/07/08/552390708.db2.gz GGSSFDMKZUJVAA-WJOKGBTCSA-N 1 0 520.677 5.369 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)C2=O)cc1 ZINC000003586795 552391718 /nfs/dbraw/zinc/39/17/18/552391718.db2.gz BPIDFJNANGMVGZ-AWSUPERCSA-N 1 0 537.704 6.346 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(OCCC(C)C)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003646157 552401656 /nfs/dbraw/zinc/40/16/56/552401656.db2.gz YUZSQTORQYYKLD-XMHGGMMESA-N 1 0 535.688 7.943 50 0 KKAARO CC[NH+](CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000003952380 552423632 /nfs/dbraw/zinc/42/36/32/552423632.db2.gz MKVMEJKNLUWFSQ-UHFFFAOYSA-N 1 0 532.520 6.453 50 0 in-vitro KKAARO O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014910 552426518 /nfs/dbraw/zinc/42/65/18/552426518.db2.gz AQAVBDNAEXJSHN-UHFFFAOYSA-N 1 0 623.753 7.514 50 0 KKAARO CC(C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)(c1ccccc1)c1ccccc1 ZINC000004122255 552440172 /nfs/dbraw/zinc/44/01/72/552440172.db2.gz YNOXYKBSVSXEKF-UHFFFAOYSA-N 1 0 534.729 5.828 50 0 KKAARO COc1cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000004122648 552440465 /nfs/dbraw/zinc/44/04/65/552440465.db2.gz GBXZURRWAWOVCT-UHFFFAOYSA-N 1 0 524.086 6.040 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000004481329 552461913 /nfs/dbraw/zinc/46/19/13/552461913.db2.gz UIPGYHGLNQKDCY-GHMVGRGESA-N 1 0 534.487 7.874 50 0 KKAARO CCC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=c1/sc(=CC2=[N+](CC)[C@H](c3ccccc3)[C@@H](c3ccccc3)S2)n(CC)c1=O ZINC000004558553 552467178 /nfs/dbraw/zinc/46/71/78/552467178.db2.gz SQIMUGTUWIVRPF-MRKDLZGJSA-N 1 0 679.013 8.284 50 0 KKAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761922 552478368 /nfs/dbraw/zinc/47/83/68/552478368.db2.gz VKOPELHILUKHBE-MUUNZHRXSA-N 1 0 610.155 5.031 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762076 552478476 /nfs/dbraw/zinc/47/84/76/552478476.db2.gz KQKAORAWBUFXCE-LJAQVGFWSA-N 1 0 606.192 5.282 50 0 KKAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762158 552478849 /nfs/dbraw/zinc/47/88/49/552478849.db2.gz GHAJHBUSVJQQDE-LJAQVGFWSA-N 1 0 624.182 5.421 50 0 KKAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762162 552478952 /nfs/dbraw/zinc/47/89/52/552478952.db2.gz GHAJHBUSVJQQDE-GDLZYMKVSA-N 1 0 624.182 5.421 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166827 552557242 /nfs/dbraw/zinc/55/72/42/552557242.db2.gz VHMTYPVEQJUWTF-UHFFFAOYSA-N 1 0 632.075 8.599 50 0 KKAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000006445379 552587646 /nfs/dbraw/zinc/58/76/46/552587646.db2.gz JWFSARIOZVATFH-QGZVFWFLSA-N 1 0 574.244 5.287 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000006446148 552588644 /nfs/dbraw/zinc/58/86/44/552588644.db2.gz HYMGRBVJUAZEGL-VWLOTQADSA-N 1 0 578.348 7.383 50 0 KKAARO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511204 552597057 /nfs/dbraw/zinc/59/70/57/552597057.db2.gz AIYPAHQFSXORFN-PMERELPUSA-N 1 0 532.704 6.185 50 0 KKAARO OCC[N@@H+](C/C=C1\c2ccccc2CSc2ccccc21)C/C=C1/c2ccccc2CSc2ccccc21 ZINC000008385593 552991098 /nfs/dbraw/zinc/99/10/98/552991098.db2.gz SSRKGACISNDXPM-QCOHSWCKSA-N 1 0 533.762 7.756 50 0 KKAARO CC[NH+](CC)CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008434884 553029061 /nfs/dbraw/zinc/02/90/61/553029061.db2.gz AUPYLVQVLTXCGR-AREMUKBSSA-N 1 0 636.388 6.740 50 0 KKAARO Cc1noc(-c2ccc(C[NH+]3CCC(C(O)(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)CC3)cc2)n1 ZINC000008448288 553055804 /nfs/dbraw/zinc/05/58/04/553055804.db2.gz LIHSNEMXLZQEGT-UHFFFAOYSA-N 1 0 607.551 6.990 50 0 KKAARO CC(C)Oc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000008448293 553055828 /nfs/dbraw/zinc/05/58/28/553055828.db2.gz ZIKLTMBGGPXCAP-UHFFFAOYSA-N 1 0 551.571 7.660 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000008455754 553073443 /nfs/dbraw/zinc/07/34/43/553073443.db2.gz HBSXTQMSWWPYTI-UHFFFAOYSA-N 1 0 500.440 6.059 50 0 KKAARO COc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c(OC)c1 ZINC000008591372 553082469 /nfs/dbraw/zinc/08/24/69/553082469.db2.gz DWGZFDVUTKXFQN-UHFFFAOYSA-N 1 0 513.594 6.144 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597809 553094035 /nfs/dbraw/zinc/09/40/35/553094035.db2.gz ZXPOFMKVXXTLDN-DEOSSOPVSA-N 1 0 507.078 5.481 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597820 553094101 /nfs/dbraw/zinc/09/41/01/553094101.db2.gz RMTPABMEPSZLAP-QFIPXVFZSA-N 1 0 527.496 5.826 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000008597814 553094114 /nfs/dbraw/zinc/09/41/14/553094114.db2.gz MAGIWMBDQXZCBT-DEOSSOPVSA-N 1 0 563.695 5.203 50 0 KKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597886 553094326 /nfs/dbraw/zinc/09/43/26/553094326.db2.gz ZCRBWOCNAMRUDA-DEOSSOPVSA-N 1 0 507.078 5.481 50 0 KKAARO CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763387 553137789 /nfs/dbraw/zinc/13/77/89/553137789.db2.gz WTMHMIQZQQQCNR-LJAQVGFWSA-N 1 0 530.759 7.976 50 0 KKAARO CCCCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)cc1 ZINC000008878371 553175555 /nfs/dbraw/zinc/17/55/55/553175555.db2.gz LCNHHHNXAPAVOP-JOCHJYFZSA-N 1 0 503.687 6.481 50 0 KKAARO Cc1c(Br)cc2c(c1Br)OCC(CN1CCCCC1)(C[NH+]1CCCCC1)C2=O ZINC000008926178 553191011 /nfs/dbraw/zinc/19/10/11/553191011.db2.gz OUKLAUASYZRWEQ-UHFFFAOYSA-N 1 0 514.302 5.053 50 0 KKAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095159 553209583 /nfs/dbraw/zinc/20/95/83/553209583.db2.gz ITRWUMXUARAAAE-SMSORMJASA-N 1 0 508.666 5.535 50 0 KKAARO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000009272028 553231466 /nfs/dbraw/zinc/23/14/66/553231466.db2.gz DBGVNYDZFAVFHZ-LQJZCPKCSA-N 1 0 520.717 6.661 50 0 KKAARO COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cc1OC ZINC000009345817 553244213 /nfs/dbraw/zinc/24/42/13/553244213.db2.gz FLHKCCSOWHLZHB-VSGBNLITSA-N 1 0 509.650 6.117 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009360854 553248636 /nfs/dbraw/zinc/24/86/36/553248636.db2.gz HOBRZDUCKCYXAT-MHZLTWQESA-N 1 0 516.483 6.860 50 0 KKAARO COc1cc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000009429699 553260736 /nfs/dbraw/zinc/26/07/36/553260736.db2.gz YKERBZRDAPPJMU-UHFFFAOYSA-N 1 0 533.625 5.140 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009433191 553262887 /nfs/dbraw/zinc/26/28/87/553262887.db2.gz SDOFMFCDEVRPSV-VSGBNLITSA-N 1 0 501.696 5.466 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433043 553262962 /nfs/dbraw/zinc/26/29/62/553262962.db2.gz UPJCCALPMBAUFV-VSGBNLITSA-N 1 0 503.712 5.713 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009433193 553262975 /nfs/dbraw/zinc/26/29/75/553262975.db2.gz SDOFMFCDEVRPSV-WUFINQPMSA-N 1 0 501.696 5.466 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000009433208 553262985 /nfs/dbraw/zinc/26/29/85/553262985.db2.gz XPCXWNGNEWFXIT-XZWHSSHBSA-N 1 0 529.750 6.022 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000009433324 553263051 /nfs/dbraw/zinc/26/30/51/553263051.db2.gz JHWNGRAWSBQZHE-WDYNHAJCSA-N 1 0 517.739 6.102 50 0 KKAARO C[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433507 553263336 /nfs/dbraw/zinc/26/33/36/553263336.db2.gz QEURWTABXZDXKQ-WUFINQPMSA-N 1 0 501.696 5.610 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461957 553267954 /nfs/dbraw/zinc/26/79/54/553267954.db2.gz MLADYYQGAXHTPF-NRFANRHFSA-N 1 0 509.275 6.502 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000009490453 553273648 /nfs/dbraw/zinc/27/36/48/553273648.db2.gz GZLJLNCKKWAIEI-IBGZPJMESA-N 1 0 510.476 5.762 50 0 KKAARO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000009678369 553295385 /nfs/dbraw/zinc/29/53/85/553295385.db2.gz JBNXQAMGNJCWOG-UHFFFAOYSA-N 1 0 516.041 5.364 50 0 KKAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCCSC4CCCCC4)CC3)c(C)o2)cc1OC ZINC000009731703 553302680 /nfs/dbraw/zinc/30/26/80/553302680.db2.gz FHEFIYBILUMZEJ-UHFFFAOYSA-N 1 0 515.720 5.451 50 0 KKAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009775997 553304827 /nfs/dbraw/zinc/30/48/27/553304827.db2.gz OFVGSSADIQRIDX-KYJUHHDHSA-N 1 0 517.714 5.547 50 0 KKAARO COc1cc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)ccc1OCc1ccccc1 ZINC000009805733 553308629 /nfs/dbraw/zinc/30/86/29/553308629.db2.gz KGZZUVRNWIGQNF-UHFFFAOYSA-N 1 0 527.709 5.452 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009836120 553310543 /nfs/dbraw/zinc/31/05/43/553310543.db2.gz RBBJCOWHMYNFJU-IHLOFXLRSA-N 1 0 531.672 5.553 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)CCn2ccc(C)n2)cc1 ZINC000011881955 553348544 /nfs/dbraw/zinc/34/85/44/553348544.db2.gz JIDPEECICAJJSJ-UHFFFAOYSA-N 1 0 517.699 5.118 50 0 KKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCO4)cc12 ZINC000011968398 553349743 /nfs/dbraw/zinc/34/97/43/553349743.db2.gz RDRGKEOVXPKLMI-UHFFFAOYSA-N 1 0 527.621 5.160 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218541 553354505 /nfs/dbraw/zinc/35/45/05/553354505.db2.gz XPZYMZAUFCMFQV-VWLOTQADSA-N 1 0 523.633 5.527 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218540 553354527 /nfs/dbraw/zinc/35/45/27/553354527.db2.gz XPZYMZAUFCMFQV-RUZDIDTESA-N 1 0 523.633 5.527 50 0 KKAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244721 553355066 /nfs/dbraw/zinc/35/50/66/553355066.db2.gz DGNHCIXCJZFXMA-QFIPXVFZSA-N 1 0 523.633 5.558 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000012246624 553355140 /nfs/dbraw/zinc/35/51/40/553355140.db2.gz DJSLHQJACHZONN-BVAGGSTKSA-N 1 0 512.704 6.171 50 0 KKAARO COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000012282332 553356259 /nfs/dbraw/zinc/35/62/59/553356259.db2.gz HETQYIZWOAJJHD-FQEVSTJZSA-N 1 0 502.611 5.649 50 0 KKAARO CC[NH+](CC)CCCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000012411620 553363557 /nfs/dbraw/zinc/36/35/57/553363557.db2.gz YBGZSQDMEURFMO-UHFFFAOYSA-N 1 0 519.505 6.130 50 0 KKAARO C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012498103 553382029 /nfs/dbraw/zinc/38/20/29/553382029.db2.gz QTFXBQOZVSBZQK-JIYROHSKSA-N 1 0 517.698 7.586 50 0 KKAARO COc1cccc([C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000012540133 553388786 /nfs/dbraw/zinc/38/87/86/553388786.db2.gz XRSLSNHSYZGALL-ALYLKEMTSA-N 1 0 500.639 5.362 50 0 KKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000012681270 553412727 /nfs/dbraw/zinc/41/27/27/553412727.db2.gz HSLLZQRCZXHTJS-AREMUKBSSA-N 1 0 521.658 5.522 50 0 KKAARO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000013582047 553475800 /nfs/dbraw/zinc/47/58/00/553475800.db2.gz DBGVNYDZFAVFHZ-SAIUNTKASA-N 1 0 520.717 6.661 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C2CCCCC2)cc1OCC ZINC000013749908 553487665 /nfs/dbraw/zinc/48/76/65/553487665.db2.gz SXJBYWBJVIKRAJ-MHZLTWQESA-N 1 0 538.729 5.872 50 0 KKAARO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)n2)c(OC)c1 ZINC000014965418 553522572 /nfs/dbraw/zinc/52/25/72/553522572.db2.gz NBTNHSGBRGTFJS-UHFFFAOYSA-N 1 0 568.678 5.943 50 0 in-vitro KKAARO C[C@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000014973230 553522943 /nfs/dbraw/zinc/52/29/43/553522943.db2.gz VQDNAGMATKKGOW-XMMPIXPASA-N 1 0 532.754 5.859 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2cccc(F)c2)cc1 ZINC000014984827 553523670 /nfs/dbraw/zinc/52/36/70/553523670.db2.gz MTUZZCYWYLFOHE-UHFFFAOYSA-N 1 0 503.643 5.975 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827604 553536962 /nfs/dbraw/zinc/53/69/62/553536962.db2.gz NKQZUGWFRCYMJF-QFIPXVFZSA-N 1 0 524.665 5.833 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827611 553536990 /nfs/dbraw/zinc/53/69/90/553536990.db2.gz IOJPXLYZXYCIKF-JOCHJYFZSA-N 1 0 524.665 5.975 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827607 553537010 /nfs/dbraw/zinc/53/70/10/553537010.db2.gz ZEXVENZNGMLIFX-UHFFFAOYSA-N 1 0 524.665 5.977 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCCC[NH+](CC)CC)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000015827630 553537038 /nfs/dbraw/zinc/53/70/38/553537038.db2.gz KJHIQYKQLMGCPJ-UHFFFAOYSA-N 1 0 526.681 6.223 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000015942424 553543687 /nfs/dbraw/zinc/54/36/87/553543687.db2.gz QSDARQQTABAUDJ-IBGZPJMESA-N 1 0 504.071 5.502 50 0 KKAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946762 553544628 /nfs/dbraw/zinc/54/46/28/553544628.db2.gz KNZXJFFWJVKDPM-NRFANRHFSA-N 1 0 519.711 6.278 50 0 KKAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2c(C)c1 ZINC000017010427 553586207 /nfs/dbraw/zinc/58/62/07/553586207.db2.gz ORHQABFVUQKVIS-UHFFFAOYSA-N 1 0 528.744 5.076 50 0 KKAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070672299 553601946 /nfs/dbraw/zinc/60/19/46/553601946.db2.gz AQGKXMYBXMXQKH-GGHXANPISA-N 1 0 533.753 5.751 50 0 biogenic KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+]2CCN(C)CC2)c2ccccc12 ZINC000019362980 553613643 /nfs/dbraw/zinc/61/36/43/553613643.db2.gz KUXIXKQQVHSSSQ-MHZLTWQESA-N 1 0 539.720 5.636 50 0 KKAARO CCCOc1ccc([C@H]2CN3C(=O)CN(CCC[NH+](CC)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070699003 553615290 /nfs/dbraw/zinc/61/52/90/553615290.db2.gz OMZGZWNRWQZICH-HPMVVLTCSA-N 1 0 560.739 5.119 50 0 biogenic KKAARO CCCc1nc2ccccc2c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1CC ZINC000019805767 553617650 /nfs/dbraw/zinc/61/76/50/553617650.db2.gz WCFJHYXCMVQEPM-UHFFFAOYSA-N 1 0 506.694 6.095 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700500 553618495 /nfs/dbraw/zinc/61/84/95/553618495.db2.gz GLWRMFMMGBCTKK-MRPYTORDSA-N 1 0 535.644 5.052 50 0 biogenic KKAARO COc1cccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000019894411 553632089 /nfs/dbraw/zinc/63/20/89/553632089.db2.gz JYGYJMCMSHMLNJ-UHFFFAOYSA-N 1 0 504.556 6.083 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)cc3)C2=O)c1 ZINC000020355315 553641429 /nfs/dbraw/zinc/64/14/29/553641429.db2.gz VQVDDNZEEQLZSR-RLWXIGHFSA-N 1 0 537.704 6.345 50 0 KKAARO CCSc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000020358565 553642936 /nfs/dbraw/zinc/64/29/36/553642936.db2.gz RZCCESPQOYVSLX-UHFFFAOYSA-N 1 0 530.763 6.566 50 0 KKAARO CC[C@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020386559 553644145 /nfs/dbraw/zinc/64/41/45/553644145.db2.gz BWHDYMIKMBCTFH-FQEVSTJZSA-N 1 0 501.494 6.261 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412840 553647344 /nfs/dbraw/zinc/64/73/44/553647344.db2.gz GCGDEQDQFMMORL-TUJTZPINSA-N 1 0 519.129 6.361 50 0 biogenic KKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000020508720 553668381 /nfs/dbraw/zinc/66/83/81/553668381.db2.gz YXFSFFJSJMLLLX-IHLOFXLRSA-N 1 0 527.734 6.842 50 0 KKAARO COc1ccc(CN(CC[NH+](C)C)C(=O)CC(C)(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000085412867 553680710 /nfs/dbraw/zinc/68/07/10/553680710.db2.gz YVOBSVBRSBXTGR-UHFFFAOYSA-N 1 0 531.502 5.096 50 0 KKAARO CCOc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020682272 553688258 /nfs/dbraw/zinc/68/82/58/553688258.db2.gz FKEUNPFFMDONJF-UHFFFAOYSA-N 1 0 508.666 5.238 50 0 KKAARO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000020105079 553689478 /nfs/dbraw/zinc/68/94/78/553689478.db2.gz BVJZUEBUUSKNDB-UHFFFAOYSA-N 1 0 517.743 5.011 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020733725 553692934 /nfs/dbraw/zinc/69/29/34/553692934.db2.gz LFVVKASEIAJBHO-CLVVTTMOSA-N 1 0 530.068 5.911 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000020736625 553694027 /nfs/dbraw/zinc/69/40/27/553694027.db2.gz YCULYACYOQWLGP-ZXVVBBHZSA-N 1 0 518.082 5.846 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020736901 553694277 /nfs/dbraw/zinc/69/42/77/553694277.db2.gz DRUSZGNYWLXKLX-XHLNEMQHSA-N 1 0 513.707 6.137 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116147 553697478 /nfs/dbraw/zinc/69/74/78/553697478.db2.gz QVFDTSQHELWKNC-RMVDRDQESA-N 1 0 507.763 5.680 50 0 KKAARO CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C3=O)cc1 ZINC000020863780 553700400 /nfs/dbraw/zinc/70/04/00/553700400.db2.gz YYXNDEXCXKDAPD-WTBTXGFSSA-N 1 0 547.788 5.534 50 0 KKAARO CC1(C)CC(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000095351733 553701001 /nfs/dbraw/zinc/70/10/01/553701001.db2.gz ULABRGXBZUDRQZ-UHFFFAOYSA-N 1 0 518.001 5.199 50 0 KKAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000021162572 553708735 /nfs/dbraw/zinc/70/87/35/553708735.db2.gz DLCTVRBZFJIDKH-RUZDIDTESA-N 1 0 501.719 5.299 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000021162972 553708876 /nfs/dbraw/zinc/70/88/76/553708876.db2.gz XBHHJKGQMCNKRO-UHFFFAOYSA-N 1 0 521.709 5.174 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000095721773 553710065 /nfs/dbraw/zinc/71/00/65/553710065.db2.gz TVHDODZRGVWAPS-VEMDQMBVSA-N 1 0 580.796 7.901 50 0 KKAARO CCOc1cc(C[NH+](Cc2ccc(OC)c(OCC)c2)[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000022078854 553725860 /nfs/dbraw/zinc/72/58/60/553725860.db2.gz CYAHCSHHQPVKGY-PMERELPUSA-N 1 0 525.689 7.487 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275493 553732516 /nfs/dbraw/zinc/73/25/16/553732516.db2.gz BPLVESQWOIMYKM-MXBOTTGLSA-N 1 0 525.737 6.847 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(C)cc1 ZINC000096287470 553738550 /nfs/dbraw/zinc/73/85/50/553738550.db2.gz IMDCQLHQVBEWJQ-ZUKKLESISA-N 1 0 539.764 7.155 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(Br)c1 ZINC000097105795 553758216 /nfs/dbraw/zinc/75/82/16/553758216.db2.gz UONLQHMKBFQJDG-OAQYLSRUSA-N 1 0 507.270 5.621 50 0 KKAARO Cc1ccc(-c2ccc(OC[C@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c2)cc1 ZINC000022926818 553767458 /nfs/dbraw/zinc/76/74/58/553767458.db2.gz FBIBNJBKJMGGMY-JGCGQSQUSA-N 1 0 506.690 6.117 50 0 KKAARO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)c1cc(-c2ccc(CC)cc2)nc2ccc(Br)cc21 ZINC000097948112 553791226 /nfs/dbraw/zinc/79/12/26/553791226.db2.gz PDLIFPRJFQTLCI-HSZRJFAPSA-N 1 0 552.601 8.027 50 0 KKAARO Cc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc54)CC3)c3ccccc3n2)cc1C ZINC000097949281 553801021 /nfs/dbraw/zinc/80/10/21/553801021.db2.gz MIZYOEWHXCJKJR-UHFFFAOYSA-N 1 0 718.946 7.908 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184656 553805739 /nfs/dbraw/zinc/80/57/39/553805739.db2.gz JGIYYOLCDWVHMV-IAPPQJPRSA-N 1 0 504.556 5.361 50 0 KKAARO O=C(Nc1cccc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462503 553809465 /nfs/dbraw/zinc/80/94/65/553809465.db2.gz WNWZXPIYKLTWKS-YWEHKCAJSA-N 1 0 512.440 7.552 50 0 KKAARO Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H]([NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571624 553842813 /nfs/dbraw/zinc/84/28/13/553842813.db2.gz ZGBAJMQHJDFTQJ-XMMPIXPASA-N 1 0 576.627 5.393 50 0 in-vitro KKAARO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000032986685 553886638 /nfs/dbraw/zinc/88/66/38/553886638.db2.gz QADFJEVOARRCLQ-UHFFFAOYSA-N 1 0 500.042 6.348 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963434 553890100 /nfs/dbraw/zinc/89/01/00/553890100.db2.gz UBPVCQDCMZGWDY-SFTDATJTSA-N 1 0 608.855 6.710 50 0 KKAARO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000097963428 553890138 /nfs/dbraw/zinc/89/01/38/553890138.db2.gz LSZYBVNBUFABMJ-UHFFFAOYSA-N 1 0 596.844 6.854 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963595 553892162 /nfs/dbraw/zinc/89/21/62/553892162.db2.gz IRJZGCAATCWZCC-UHFFFAOYSA-N 1 0 561.770 5.290 50 0 KKAARO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963578 553892189 /nfs/dbraw/zinc/89/21/89/553892189.db2.gz VHWDSVCGMUPCOW-UHFFFAOYSA-N 1 0 563.786 5.249 50 0 KKAARO CCCC[NH2+][C@@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097966193 553907358 /nfs/dbraw/zinc/90/73/58/553907358.db2.gz KTQKWBQWIXXNAY-XMMPIXPASA-N 1 0 552.538 7.245 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)cc1 ZINC000033356347 553940940 /nfs/dbraw/zinc/94/09/40/553940940.db2.gz WESLSBUIKOWTDR-UHFFFAOYSA-N 1 0 536.654 5.070 50 0 KKAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)c1 ZINC000033357098 553946339 /nfs/dbraw/zinc/94/63/39/553946339.db2.gz AIQSOBWIXQIKFL-GDLZYMKVSA-N 1 0 622.260 5.601 50 0 KKAARO c1ccc2c(c1)C(N1c3ccccc3Sc3ccccc31)=NC2=[N+]1c2ccccc2Sc2ccccc21 ZINC000033528711 553961684 /nfs/dbraw/zinc/96/16/84/553961684.db2.gz DHKLSALLRKHNFN-UHFFFAOYSA-N 1 0 510.667 8.496 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000097977254 553975179 /nfs/dbraw/zinc/97/51/79/553975179.db2.gz XVXNJUKXGMYQSQ-SKCUWOTOSA-N 1 0 547.095 6.790 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671734 553982409 /nfs/dbraw/zinc/98/24/09/553982409.db2.gz NRPXGIXNMOUMOX-ROJLCIKYSA-N 1 0 505.662 6.012 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698100 553991072 /nfs/dbraw/zinc/99/10/72/553991072.db2.gz YBQYUFAOVUFATD-RBJSKKJNSA-N 1 0 523.599 5.392 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)C4CCCC4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698109 553991078 /nfs/dbraw/zinc/99/10/78/553991078.db2.gz CNFGSVWYBVOVGZ-KCWPFWIISA-N 1 0 515.620 5.268 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698406 553991094 /nfs/dbraw/zinc/99/10/94/553991094.db2.gz VKQHZIOKWUMCDC-WNCULLNHSA-N 1 0 511.563 5.523 50 0 KKAARO O=C(c1ccc(F)cc1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000034698045 553991217 /nfs/dbraw/zinc/99/12/17/553991217.db2.gz QAKRCLCIHNZNCQ-UHSQPCAPSA-N 1 0 524.602 6.655 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699249 553992244 /nfs/dbraw/zinc/99/22/44/553992244.db2.gz YGUOXEUPVQIVIQ-BVRKHOPBSA-N 1 0 512.694 6.138 50 0 KKAARO COc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699145 553992336 /nfs/dbraw/zinc/99/23/36/553992336.db2.gz DVJQUUTVKFKJNJ-UFHPHHKVSA-N 1 0 528.590 6.620 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699248 553992446 /nfs/dbraw/zinc/99/24/46/553992446.db2.gz YGUOXEUPVQIVIQ-VEEOACQBSA-N 1 0 512.694 6.138 50 0 KKAARO Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716677 553995650 /nfs/dbraw/zinc/99/56/50/553995650.db2.gz VPGIDMQPCKRJFS-XZOQPEGZSA-N 1 0 518.982 6.728 50 0 KKAARO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716676 553995687 /nfs/dbraw/zinc/99/56/87/553995687.db2.gz VPGIDMQPCKRJFS-DHIUTWEWSA-N 1 0 518.982 6.728 50 0 KKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000034716588 553995716 /nfs/dbraw/zinc/99/57/16/553995716.db2.gz GLMDYCBUKYPIDM-YADHBBJMSA-N 1 0 504.955 6.420 50 0 KKAARO CCOc1cc([C@H]2[NH2+]C[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982272 554000572 /nfs/dbraw/zinc/00/05/72/554000572.db2.gz XABJVGMMVLQHNK-QPQHGXMVSA-N 1 0 613.552 7.620 50 0 KKAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000034785609 554004033 /nfs/dbraw/zinc/00/40/33/554004033.db2.gz ZGSHDAVFZCBTMG-UHFFFAOYSA-N 1 0 507.013 5.510 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830125 554014544 /nfs/dbraw/zinc/01/45/44/554014544.db2.gz JPOOTSDVFNVPJE-MNNSJKJDSA-N 1 0 501.696 5.021 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830301 554015264 /nfs/dbraw/zinc/01/52/64/554015264.db2.gz LYTUNMVFZHHQPS-FNZWTVRRSA-N 1 0 508.087 5.031 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830392 554015531 /nfs/dbraw/zinc/01/55/31/554015531.db2.gz MNYODBKMFQHKQZ-MUAVYFROSA-N 1 0 507.744 5.424 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830411 554015592 /nfs/dbraw/zinc/01/55/92/554015592.db2.gz QDGPRDNTJMHSBT-QONNDPFASA-N 1 0 509.760 5.670 50 0 KKAARO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830401 554015651 /nfs/dbraw/zinc/01/56/51/554015651.db2.gz LUQQPNLBSSZAGB-FIPFOOKPSA-N 1 0 501.696 5.076 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccccc3Cl)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831323 554016885 /nfs/dbraw/zinc/01/68/85/554016885.db2.gz GXHJUWQBMCWOJN-UHFFFAOYSA-N 1 0 512.073 5.414 50 0 KKAARO CCCC[C@@H](CC)C(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)CC(C)C ZINC000034835332 554019599 /nfs/dbraw/zinc/01/95/99/554019599.db2.gz VJUCPBBILIQJNK-RUZDIDTESA-N 1 0 527.773 6.305 50 0 KKAARO CCCC[C@H](CC)C(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1 ZINC000034835430 554019885 /nfs/dbraw/zinc/01/98/85/554019885.db2.gz LBEACRNNGLMSJO-DEOSSOPVSA-N 1 0 513.746 6.059 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835612 554019922 /nfs/dbraw/zinc/01/99/22/554019922.db2.gz FIRGEPGPESVBPS-UHFFFAOYSA-N 1 0 517.693 5.564 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000034850660 554021307 /nfs/dbraw/zinc/02/13/07/554021307.db2.gz SWRQOJMJJGLIMD-COHPBREESA-N 1 0 516.497 7.735 50 0 KKAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000034912355 554029405 /nfs/dbraw/zinc/02/94/05/554029405.db2.gz VNUUXDIIEHDNQI-AREMUKBSSA-N 1 0 513.604 5.216 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000097995669 554036778 /nfs/dbraw/zinc/03/67/78/554036778.db2.gz FMKDABXNVSSLBF-UHFFFAOYSA-N 1 0 566.496 5.517 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397205 554047797 /nfs/dbraw/zinc/04/77/97/554047797.db2.gz OGOYARMOYGCZMF-UHFFFAOYSA-N 1 0 513.505 5.451 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397174 554047858 /nfs/dbraw/zinc/04/78/58/554047858.db2.gz YQXYTWMYEHFGHK-UHFFFAOYSA-N 1 0 511.135 6.331 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c(Cl)c2n1 ZINC000098005771 554058509 /nfs/dbraw/zinc/05/85/09/554058509.db2.gz IIOXLBPNWMZACS-UHFFFAOYSA-N 1 0 574.047 5.804 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000098009762 554070827 /nfs/dbraw/zinc/07/08/27/554070827.db2.gz YYYZYHPVXBGFJZ-XYFQYJLHSA-N 1 0 555.763 6.856 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)NC(C)(C)C)s1 ZINC000035808323 554077160 /nfs/dbraw/zinc/07/71/60/554077160.db2.gz ISDPQZXYQZIEPZ-UHFFFAOYSA-N 1 0 502.700 5.020 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2cccc(Cl)c2)SCC1=O ZINC000098011168 554078118 /nfs/dbraw/zinc/07/81/18/554078118.db2.gz YWRFXKBEUDHRHH-LJAQVGFWSA-N 1 0 578.113 5.179 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000035842586 554080931 /nfs/dbraw/zinc/08/09/31/554080931.db2.gz BEPRMVVJKLGBJD-GDLZYMKVSA-N 1 0 535.773 5.782 50 0 KKAARO CC[C@H](O)C[N@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842607 554081282 /nfs/dbraw/zinc/08/12/82/554081282.db2.gz MJACKRSEKSYCSY-MHZLTWQESA-N 1 0 507.719 5.146 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035842739 554081704 /nfs/dbraw/zinc/08/17/04/554081704.db2.gz LODBRYBDDRSALY-UHFFFAOYSA-N 1 0 509.738 7.195 50 0 KKAARO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871970 554086215 /nfs/dbraw/zinc/08/62/15/554086215.db2.gz PCRSEICAIJDUFM-AOYPEHQESA-N 1 0 515.526 5.163 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908043 554092400 /nfs/dbraw/zinc/09/24/00/554092400.db2.gz LRNXZRZFTIELAZ-AOYPEHQESA-N 1 0 515.526 5.163 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908390 554092905 /nfs/dbraw/zinc/09/29/05/554092905.db2.gz BMPNQBNGOGICRK-HYBUGGRVSA-N 1 0 501.637 6.898 50 0 KKAARO CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)[NH2+][C@H]3c2ccc(OCC)cc2)cc1 ZINC000035955956 554107840 /nfs/dbraw/zinc/10/78/40/554107840.db2.gz KEVVQDVLUNYZPF-LNJUUQFZSA-N 1 0 620.790 7.554 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccccc2Cl)cc1OC ZINC000098019721 554114119 /nfs/dbraw/zinc/11/41/19/554114119.db2.gz AEHHGIDCCITWOD-UHFFFAOYSA-N 1 0 568.114 5.068 50 0 KKAARO Cc1ccccc1C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020065 554116172 /nfs/dbraw/zinc/11/61/72/554116172.db2.gz ZSHWEVLDVGETDR-UHFFFAOYSA-N 1 0 536.547 7.513 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC000098020090 554116534 /nfs/dbraw/zinc/11/65/34/554116534.db2.gz CESBRZXUVLLPIU-UHFFFAOYSA-N 1 0 540.510 7.487 50 0 KKAARO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042724 554121785 /nfs/dbraw/zinc/12/17/85/554121785.db2.gz FXRWOJXYUBPKRT-UHFFFAOYSA-N 1 0 586.618 7.734 50 0 KKAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH2+]C(c3ccccc3)c3ccccc3)cc21 ZINC000098045246 554131318 /nfs/dbraw/zinc/13/13/18/554131318.db2.gz VUTNZUYSTIXPOS-LJAQVGFWSA-N 1 0 548.683 6.294 50 0 KKAARO COc1cccc(CNC(=O)CCCC(=O)Nc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)c1 ZINC000098045559 554132404 /nfs/dbraw/zinc/13/24/04/554132404.db2.gz RCFYZLMNDZGOTD-UHFFFAOYSA-N 1 0 576.741 6.032 50 0 KKAARO CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccccc2)cc1 ZINC000036046197 554153822 /nfs/dbraw/zinc/15/38/22/554153822.db2.gz CQWHXDXDLBNLPE-UHFFFAOYSA-N 1 0 509.654 5.305 50 0 KKAARO CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2cccs2)cc1 ZINC000036046196 554153838 /nfs/dbraw/zinc/15/38/38/554153838.db2.gz PUIJOQRFKIPDEO-UHFFFAOYSA-N 1 0 515.683 5.367 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000036064698 554163426 /nfs/dbraw/zinc/16/34/26/554163426.db2.gz HICHITIOVVNYNE-TVPFMAAGSA-N 1 0 531.741 5.793 50 0 KKAARO Cc1cccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000036071028 554167961 /nfs/dbraw/zinc/16/79/61/554167961.db2.gz ODRFZACXVUSIPO-UHFFFAOYSA-N 1 0 518.017 5.022 50 0 KKAARO O=C(c1ccc(F)cc1)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124400 554196597 /nfs/dbraw/zinc/19/65/97/554196597.db2.gz WZJSPUPNEJAVEY-UHFFFAOYSA-N 1 0 522.473 6.296 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036301743 554211683 /nfs/dbraw/zinc/21/16/83/554211683.db2.gz GVYXTFCBYNRAON-DEOSSOPVSA-N 1 0 500.083 6.260 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302340 554212305 /nfs/dbraw/zinc/21/23/05/554212305.db2.gz LLJVVLLXLBRCDB-AREMUKBSSA-N 1 0 515.654 5.880 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302342 554212311 /nfs/dbraw/zinc/21/23/11/554212311.db2.gz BHTWEZKQXFIGPK-NDEPHWFRSA-N 1 0 529.681 6.017 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302372 554212434 /nfs/dbraw/zinc/21/24/34/554212434.db2.gz LKPBEQOOSPQNNS-HHHXNRCGSA-N 1 0 529.681 6.188 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036302840 554212760 /nfs/dbraw/zinc/21/27/60/554212760.db2.gz ZPLQYINEJRCKCA-MHZLTWQESA-N 1 0 511.666 6.051 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304263 554214375 /nfs/dbraw/zinc/21/43/75/554214375.db2.gz KYAXCRBSMHULSO-AREMUKBSSA-N 1 0 503.593 6.067 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036304094 554214511 /nfs/dbraw/zinc/21/45/11/554214511.db2.gz XOIDUNNOQHHDQY-SANMLTNESA-N 1 0 521.608 6.039 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000036304969 554214945 /nfs/dbraw/zinc/21/49/45/554214945.db2.gz ISGQHFPSGRKVEV-OAQYLSRUSA-N 1 0 502.055 5.157 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305282 554215233 /nfs/dbraw/zinc/21/52/33/554215233.db2.gz JTEGOQLYQMSDOM-AREMUKBSSA-N 1 0 529.681 6.094 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307285 554216327 /nfs/dbraw/zinc/21/63/27/554216327.db2.gz OAJPBJDNVYUPCY-XMMPIXPASA-N 1 0 505.590 5.401 50 0 KKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313655 554218994 /nfs/dbraw/zinc/21/89/94/554218994.db2.gz JZPBACIITUDIHE-RUZDIDTESA-N 1 0 500.083 6.262 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344938 554223329 /nfs/dbraw/zinc/22/33/29/554223329.db2.gz GACXGWADESKLJV-SSEXGKCCSA-N 1 0 511.666 5.645 50 0 KKAARO CCCCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(Cl)\C=C\C1=[N+](CCCC)c2ccc3ccccc3c2C1(C)C ZINC000100133016 554226074 /nfs/dbraw/zinc/22/60/74/554226074.db2.gz QEGOWRZTYJCTEF-UHFFFAOYSA-N 1 0 602.286 11.330 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C\c2ccc(Br)cc2Br)nc2ccc(OC)cc21 ZINC000100190886 554244801 /nfs/dbraw/zinc/24/48/01/554244801.db2.gz YWPCLBUQOZWORF-BLSFAOBESA-N 1 0 576.377 7.256 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C/C1=C/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)C[C@H](C)C1 ZINC000100265523 554266632 /nfs/dbraw/zinc/26/66/32/554266632.db2.gz DRDJGKNGLJONSX-UHFFFAOYSA-N 1 0 597.917 8.883 50 0 KKAARO CCN1c2ccccc2S/C1=C\C=C1/C[C@@H](C)CC(/C=C/c2sc3ccccc3[n+]2CC)=C1Cl ZINC000039440196 554279422 /nfs/dbraw/zinc/27/94/22/554279422.db2.gz VCYYCZCIUCTLII-UHFFFAOYSA-N 1 0 506.160 8.545 50 0 KKAARO CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 ZINC000039716080 554279588 /nfs/dbraw/zinc/27/95/88/554279588.db2.gz VNBRGSXVFBYQNN-UHFFFAOYSA-N 1 0 512.900 5.190 50 0 investigational KKAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1 ZINC000045994236 554317330 /nfs/dbraw/zinc/31/73/30/554317330.db2.gz FUNHQQOPWZXIED-UHFFFAOYSA-N 1 0 500.086 6.222 50 0 KKAARO CC[NH+](CC)CCCC[C@H](NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2)c1ccccc1 ZINC000051331117 554329256 /nfs/dbraw/zinc/32/92/56/554329256.db2.gz XFQBKBOYSLWDEK-SANMLTNESA-N 1 0 517.739 6.862 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000057222979 554353012 /nfs/dbraw/zinc/35/30/12/554353012.db2.gz DMQQVARWOXIPTJ-UHFFFAOYSA-N 1 0 512.437 5.745 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000057222975 554353031 /nfs/dbraw/zinc/35/30/31/554353031.db2.gz JRKSSAWEXANLPT-UHFFFAOYSA-N 1 0 522.443 5.200 50 0 KKAARO CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057222921 554353105 /nfs/dbraw/zinc/35/31/05/554353105.db2.gz QIOUUEKJQZDCFI-UHFFFAOYSA-N 1 0 501.627 5.227 50 0 KKAARO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000059364559 554392805 /nfs/dbraw/zinc/39/28/05/554392805.db2.gz ZCTJIMXXSXQXRI-LOYHVIPDSA-N 1 0 696.841 7.063 50 0 biogenic KKAARO C[C@H](Oc1cc(-n2cnc3ccc(CN4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000059715991 554426247 /nfs/dbraw/zinc/42/62/47/554426247.db2.gz ZHJGWYRLJUCMRT-KRWDZBQOSA-N 1 0 543.615 5.092 50 0 investigational KKAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)N2CC[NH+]([C@@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868773 554497419 /nfs/dbraw/zinc/49/74/19/554497419.db2.gz YPTZLBMZADCDLD-XPSQVAKYSA-N 1 0 584.764 7.780 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000100868778 554497531 /nfs/dbraw/zinc/49/75/31/554497531.db2.gz CCGBCMYLKHZNND-TYHGNQNSSA-N 1 0 560.692 8.041 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209758 554503670 /nfs/dbraw/zinc/50/36/70/554503670.db2.gz MPTYMLVILPFUTB-UHFFFAOYSA-N 1 0 554.713 5.245 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(cccc2F)s1 ZINC000060209985 554503845 /nfs/dbraw/zinc/50/38/45/554503845.db2.gz AGOVELOYCAVADP-UHFFFAOYSA-N 1 0 546.734 5.377 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3cc(OC)ccc3s2)cc1 ZINC000060210175 554504097 /nfs/dbraw/zinc/50/40/97/554504097.db2.gz DZDXEFNUWWRKJH-UHFFFAOYSA-N 1 0 580.776 5.504 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000064373444 554510846 /nfs/dbraw/zinc/51/08/46/554510846.db2.gz MYKURCFTIZBVPS-MPQQFYCHSA-N 1 0 574.718 6.089 50 0 biogenic KKAARO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC000100900891 554514368 /nfs/dbraw/zinc/51/43/68/554514368.db2.gz OBSZHGCVJUVLMM-UHFFFAOYSA-N 1 0 556.636 6.364 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)sc3nc2c1Cl ZINC000065330838 554526325 /nfs/dbraw/zinc/52/63/25/554526325.db2.gz GWVLFVKKNUYDPS-UHFFFAOYSA-N 1 0 501.096 5.182 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997806 554538121 /nfs/dbraw/zinc/53/81/21/554538121.db2.gz GGRFXCGOSHLLEF-WMPKNSHKSA-N 1 0 670.468 7.556 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000100989559 554549877 /nfs/dbraw/zinc/54/98/77/554549877.db2.gz MGHYPHNKHXMCAM-RUZDIDTESA-N 1 0 536.445 6.133 50 0 KKAARO COc1cc(C[C@H]2[NH2+]CCc3cc(OCc4ccccc4)c(OCc4ccccc4)c(OC)c32)ccc1OCc1ccccc1 ZINC000101013572 554558938 /nfs/dbraw/zinc/55/89/38/554558938.db2.gz WEWHXOWKLPPEOF-MGBGTMOVSA-N 1 0 601.743 7.870 50 0 KKAARO Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccccc2F)c1 ZINC000101054596 554569188 /nfs/dbraw/zinc/56/91/88/554569188.db2.gz SVUROWMMISNFEK-UHFFFAOYSA-N 1 0 534.035 5.283 50 0 KKAARO COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000101056260 554569501 /nfs/dbraw/zinc/56/95/01/554569501.db2.gz ASLIKJJMMURXMZ-QFIPXVFZSA-N 1 0 550.721 5.425 50 0 KKAARO O=C(COc1ccc(-c2csc3ccccc23)cc1C[N@@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000101068157 554573292 /nfs/dbraw/zinc/57/32/92/554573292.db2.gz GSOXQWRGLWIBNN-UHFFFAOYSA-N 1 0 586.717 6.872 50 0 KKAARO Brc1ccc2c(c1)[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000101092052 554582850 /nfs/dbraw/zinc/58/28/50/554582850.db2.gz BUAFUNGFMOWTNA-WJOKGBTCSA-N 1 0 564.527 7.652 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101097704 554584903 /nfs/dbraw/zinc/58/49/03/554584903.db2.gz HSCFWTZLQDYWMT-TURZUDJPSA-N 1 0 626.020 5.911 50 0 KKAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000101098396 554585092 /nfs/dbraw/zinc/58/50/92/554585092.db2.gz UCBIQKQJLXWMML-UHFFFAOYSA-N 1 0 553.545 5.263 50 0 KKAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000101108540 554640722 /nfs/dbraw/zinc/64/07/22/554640722.db2.gz ULIKCZMPVPEXBG-FZIXDTKSSA-N 1 0 584.727 6.967 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1cncc(Br)c1 ZINC000101113921 554642495 /nfs/dbraw/zinc/64/24/95/554642495.db2.gz DUJHGQOCSRGIMM-UHFFFAOYSA-N 1 0 572.429 5.961 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101216151 554682837 /nfs/dbraw/zinc/68/28/37/554682837.db2.gz JFPADSSFISCGAX-RUZDIDTESA-N 1 0 573.159 5.200 50 0 KKAARO COc1ccc(CC[NH2+]C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)cc1OC ZINC000101221785 554687403 /nfs/dbraw/zinc/68/74/03/554687403.db2.gz GXFMIAMBUSYTMO-SSEXGKCCSA-N 1 0 556.706 7.339 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254867 554695916 /nfs/dbraw/zinc/69/59/16/554695916.db2.gz KYDREQSXADOZFY-NDEPHWFRSA-N 1 0 594.156 5.018 50 0 KKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000101255904 554697051 /nfs/dbraw/zinc/69/70/51/554697051.db2.gz PCYPAXKKKZBVFE-NAKRPHOHSA-N 1 0 562.579 6.037 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260293 554697224 /nfs/dbraw/zinc/69/72/24/554697224.db2.gz RMZDPVZMBJRRKO-RPWUZVMVSA-N 1 0 544.589 6.092 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341479 554735548 /nfs/dbraw/zinc/73/55/48/554735548.db2.gz JSKRKRYCNHXIAO-AREMUKBSSA-N 1 0 582.550 5.065 50 0 KKAARO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000101341578 554735942 /nfs/dbraw/zinc/73/59/42/554735942.db2.gz KUGOJTZHVXDPIL-BTYSJIOQSA-N 1 0 569.768 5.072 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352083 554738487 /nfs/dbraw/zinc/73/84/87/554738487.db2.gz QPMUFZKJDCOFFJ-HEVIKAOCSA-N 1 0 581.757 5.658 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352156 554738560 /nfs/dbraw/zinc/73/85/60/554738560.db2.gz HCDMVSUBPVKYQB-PXLJZGITSA-N 1 0 595.784 5.782 50 0 KKAARO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)c1 ZINC000101373737 554745469 /nfs/dbraw/zinc/74/54/69/554745469.db2.gz JSNKVRZQQKKDIP-CEUNXORHSA-N 1 0 561.151 5.700 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386162 554751221 /nfs/dbraw/zinc/75/12/21/554751221.db2.gz GJSVJJZDFSNHED-HKFHRXRESA-N 1 0 605.827 7.058 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386235 554751379 /nfs/dbraw/zinc/75/13/79/554751379.db2.gz TYYREJHFKQVTIJ-UYHPJTEGSA-N 1 0 622.810 6.755 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386191 554751467 /nfs/dbraw/zinc/75/14/67/554751467.db2.gz PILWNZMOVUEQJX-BIMVPBQRSA-N 1 0 622.829 7.802 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386188 554751477 /nfs/dbraw/zinc/75/14/77/554751477.db2.gz PILWNZMOVUEQJX-LWQYYNMXSA-N 1 0 622.829 7.802 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391721 554755449 /nfs/dbraw/zinc/75/54/49/554755449.db2.gz CSTFUZXEARCNQU-IXCJQBJRSA-N 1 0 549.900 5.759 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406829 554761970 /nfs/dbraw/zinc/76/19/70/554761970.db2.gz SYNRQYRZKMBATH-IBGZPJMESA-N 1 0 538.088 6.395 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000101416674 554765463 /nfs/dbraw/zinc/76/54/63/554765463.db2.gz MFSTVHCYGKUZBE-UHFFFAOYSA-N 1 0 607.776 5.754 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000101454808 554776733 /nfs/dbraw/zinc/77/67/33/554776733.db2.gz XOYBGXGUFMKZED-KDXMTYKHSA-N 1 0 549.712 5.785 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)cc3)C2=O)c1 ZINC000101506542 554790451 /nfs/dbraw/zinc/79/04/51/554790451.db2.gz WZTIBPVCLFDPBD-AVLPFNLUSA-N 1 0 614.790 6.521 50 0 KKAARO COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000101578559 554799225 /nfs/dbraw/zinc/79/92/25/554799225.db2.gz ZFVJONGWMAEUMW-YBBGPBPVSA-N 1 0 552.760 5.080 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)CC3)nc2cc1Br ZINC000101583010 554800987 /nfs/dbraw/zinc/80/09/87/554800987.db2.gz KFWDIUKPXAPDST-UHFFFAOYSA-N 1 0 573.601 6.091 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCC[N@H+]([C@H](C)CC)C4CCCCC4)CC3)nc2cc1Br ZINC000101583019 554801009 /nfs/dbraw/zinc/80/10/09/554801009.db2.gz ZYFBZBDHEUZCRW-LJQANCHMSA-N 1 0 565.622 6.223 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000101634224 554812428 /nfs/dbraw/zinc/81/24/28/554812428.db2.gz GNBRLBWKUXIWFA-MSPRMREJSA-N 1 0 572.569 5.708 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1Br ZINC000101634448 554812572 /nfs/dbraw/zinc/81/25/72/554812572.db2.gz TUQKECMBHOQBBQ-BLXYJZHJSA-N 1 0 572.569 5.422 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101636850 554813176 /nfs/dbraw/zinc/81/31/76/554813176.db2.gz SSQYYFGNCDACDK-JBASAIQMSA-N 1 0 560.163 7.016 50 0 KKAARO COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101671843 554825379 /nfs/dbraw/zinc/82/53/79/554825379.db2.gz SDMNBEJABAUBGL-CXNUKBDRSA-N 1 0 570.601 5.406 50 0 KKAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000101683828 554828859 /nfs/dbraw/zinc/82/88/59/554828859.db2.gz GQISDZSMBDPNGJ-UHFFFAOYSA-N 1 0 614.186 7.475 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000101739848 554833941 /nfs/dbraw/zinc/83/39/41/554833941.db2.gz ZHENANLWWCQRQK-UHFFFAOYSA-N 1 0 578.157 6.035 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H]1c1cccs1 ZINC000101843179 554843087 /nfs/dbraw/zinc/84/30/87/554843087.db2.gz WQHUCHLZOUDQRA-WDYNHAJCSA-N 1 0 548.728 5.152 50 0 KKAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)CC1 ZINC000101917463 554850560 /nfs/dbraw/zinc/85/05/60/554850560.db2.gz MAYPGPXYZWCDGV-UHFFFAOYSA-N 1 0 536.654 5.365 50 0 KKAARO Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957616 554853301 /nfs/dbraw/zinc/85/33/01/554853301.db2.gz ZCPWPQGOGFMQLB-MUUNZHRXSA-N 1 0 538.692 5.636 50 0 KKAARO COc1cc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2)cc(OC)c1OC ZINC000101975960 554862802 /nfs/dbraw/zinc/86/28/02/554862802.db2.gz KCYDPBMBFFUBTM-RUZDIDTESA-N 1 0 537.638 5.189 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979648 554863624 /nfs/dbraw/zinc/86/36/24/554863624.db2.gz YUGIDUUOXHLBSO-KYJUHHDHSA-N 1 0 542.749 5.748 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979645 554863703 /nfs/dbraw/zinc/86/37/03/554863703.db2.gz YUGIDUUOXHLBSO-IHLOFXLRSA-N 1 0 542.749 5.748 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccccc1F ZINC000102045847 554870029 /nfs/dbraw/zinc/87/00/29/554870029.db2.gz FBRFVEJSADWSOT-QCDSWUKFSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000102045745 554870072 /nfs/dbraw/zinc/87/00/72/554870072.db2.gz HFNMDHYRMSGQMK-NJHZRGNWSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102045883 554870200 /nfs/dbraw/zinc/87/02/00/554870200.db2.gz YMJNFVBWFLWQNT-SVXHESJVSA-N 1 0 631.861 8.426 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000102050848 554871163 /nfs/dbraw/zinc/87/11/63/554871163.db2.gz XJLYNBVANNQYLU-LJAQVGFWSA-N 1 0 559.751 5.919 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088934 554877208 /nfs/dbraw/zinc/87/72/08/554877208.db2.gz QRONMDNVNOXLIB-DHUJRADRSA-N 1 0 547.743 7.211 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102093648 554878719 /nfs/dbraw/zinc/87/87/19/554878719.db2.gz PXZWZPZTKDJDPQ-AJQTZOPKSA-N 1 0 531.700 5.764 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098991 554880757 /nfs/dbraw/zinc/88/07/57/554880757.db2.gz BZAJHVYCKFSBJP-XNMGPUDCSA-N 1 0 538.610 6.448 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102099470 554881251 /nfs/dbraw/zinc/88/12/51/554881251.db2.gz CFMACVDCZGUKLJ-QHCPKHFHSA-N 1 0 556.482 5.935 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)N3)C1 ZINC000102100517 554881527 /nfs/dbraw/zinc/88/15/27/554881527.db2.gz XUUITGJTCCCAAA-QFIPXVFZSA-N 1 0 532.449 6.090 50 0 KKAARO Cc1cccc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)c1C ZINC000102103488 554882089 /nfs/dbraw/zinc/88/20/89/554882089.db2.gz UQVAJEOBPSVRJN-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000102103474 554882091 /nfs/dbraw/zinc/88/20/91/554882091.db2.gz CSNZDZARVMMSQV-UHFFFAOYSA-N 1 0 573.678 8.355 50 0 KKAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129775 554884653 /nfs/dbraw/zinc/88/46/53/554884653.db2.gz AABOVQBGEMBPCR-UHFFFAOYSA-N 1 0 636.237 6.333 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000102129931 554884705 /nfs/dbraw/zinc/88/47/05/554884705.db2.gz XXHDVTHJKIUVGG-UHFFFAOYSA-N 1 0 556.151 5.731 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102130155 554884956 /nfs/dbraw/zinc/88/49/56/554884956.db2.gz NGIFSJODJPNWQK-UHFFFAOYSA-N 1 0 606.211 6.591 50 0 KKAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000102310652 554909713 /nfs/dbraw/zinc/90/97/13/554909713.db2.gz ZDGCYBWTEBJKSG-UHFFFAOYSA-N 1 0 585.642 5.148 50 0 KKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000102327580 554912283 /nfs/dbraw/zinc/91/22/83/554912283.db2.gz RQXAFPGUHVTCBJ-JOCHJYFZSA-N 1 0 577.150 5.941 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000102452537 554932969 /nfs/dbraw/zinc/93/29/69/554932969.db2.gz YNAUDRMREKVKAC-BSKIJULFSA-N 1 0 562.483 7.469 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102568741 554970122 /nfs/dbraw/zinc/97/01/22/554970122.db2.gz VXADKYVFEIBSGQ-UHFFFAOYSA-N 1 0 551.712 6.252 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102571560 554970687 /nfs/dbraw/zinc/97/06/87/554970687.db2.gz SCVTVQONBZGLRZ-UHFFFAOYSA-N 1 0 561.675 5.637 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(/C=C/c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579846 554972010 /nfs/dbraw/zinc/97/20/10/554972010.db2.gz RBOVUTAEIDVLJA-PRYXETCQSA-N 1 0 568.744 9.533 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582644 554972848 /nfs/dbraw/zinc/97/28/48/554972848.db2.gz JEQOHRDYGFOKHD-XMMPIXPASA-N 1 0 561.748 5.316 50 0 KKAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 ZINC000102595626 554976564 /nfs/dbraw/zinc/97/65/64/554976564.db2.gz APQUVWJJIUQEPZ-BHDXBOSCSA-N 1 0 591.722 5.478 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000102602622 554977957 /nfs/dbraw/zinc/97/79/57/554977957.db2.gz POJIABMEPQGJTA-JSOSNVBQSA-N 1 0 548.712 6.062 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102608816 554980466 /nfs/dbraw/zinc/98/04/66/554980466.db2.gz BFWCRRGFPQUDJJ-UHFFFAOYSA-N 1 0 559.685 7.357 50 0 KKAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102644991 554991993 /nfs/dbraw/zinc/99/19/93/554991993.db2.gz MNBCDCOZVFKUEG-UHFFFAOYSA-N 1 0 598.691 5.271 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000102661954 555000760 /nfs/dbraw/zinc/00/07/60/555000760.db2.gz MOYQRMMVXGGGLE-XIFFEERXSA-N 1 0 599.816 5.953 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102662352 555001052 /nfs/dbraw/zinc/00/10/52/555001052.db2.gz YOTKJXYNGWBHAW-WCISARMNSA-N 1 0 527.624 5.471 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)Cc1ccccc1 ZINC000102690083 555007917 /nfs/dbraw/zinc/00/79/17/555007917.db2.gz CASPQISIQSARHE-UHFFFAOYSA-N 1 0 599.801 5.748 50 0 KKAARO COc1ccc(NC(=O)CC[C@H]2C[N@@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000102709656 555016079 /nfs/dbraw/zinc/01/60/79/555016079.db2.gz QHASZSQMIXDXCM-BKMJKUGQSA-N 1 0 562.677 5.362 50 0 KKAARO O=c1c2sc3ccccc3c2nc(SCc2ccccc2Cl)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000102729075 555023019 /nfs/dbraw/zinc/02/30/19/555023019.db2.gz YZGLDRKJUPWRNV-UHFFFAOYSA-N 1 0 532.134 7.394 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102748582 555042862 /nfs/dbraw/zinc/04/28/62/555042862.db2.gz HSNUEXJHUQMLEJ-HWIUFGAZSA-N 1 0 577.725 6.900 50 0 KKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102766761 555055485 /nfs/dbraw/zinc/05/54/85/555055485.db2.gz PYPPFUABFOSYNF-ITYLOYPMSA-N 1 0 539.623 5.824 50 0 KKAARO CN(C)[C@H](C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000102773708 555062187 /nfs/dbraw/zinc/06/21/87/555062187.db2.gz SPNBKVUSSNSXEI-CSUOAPIFSA-N 1 0 562.751 5.095 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787852 555068297 /nfs/dbraw/zinc/06/82/97/555068297.db2.gz JZFVCXNPJVZZLM-LAKKEJQSSA-N 1 0 616.831 6.613 50 0 KKAARO COc1ccc(-c2cccc(-c3nc(C[NH+]4CCC(CCc5ccc(C(C)(C)C)cc5)CC4)cs3)c2)c(OC)c1OC ZINC000102830541 555078474 /nfs/dbraw/zinc/07/84/74/555078474.db2.gz YNADWYZEOXACKN-UHFFFAOYSA-N 1 0 584.826 8.645 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850434 555085482 /nfs/dbraw/zinc/08/54/82/555085482.db2.gz VEOMWWAFUPGFIZ-NRFANRHFSA-N 1 0 538.534 5.526 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OCC ZINC000102851774 555085950 /nfs/dbraw/zinc/08/59/50/555085950.db2.gz RJGJXEXPZDTRON-WJOKGBTCSA-N 1 0 619.778 5.911 50 0 KKAARO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000102937559 555165463 /nfs/dbraw/zinc/16/54/63/555165463.db2.gz ZRZZJVAOTLZBAC-SIAWKFEWSA-N 1 0 536.031 5.423 50 0 KKAARO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NCc3ccccn3)c2)n1 ZINC000102943574 555170979 /nfs/dbraw/zinc/17/09/79/555170979.db2.gz QXCQPUURSSKHLQ-UHFFFAOYSA-N 1 0 545.112 5.382 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103020581 555211865 /nfs/dbraw/zinc/21/18/65/555211865.db2.gz KVOPPVNBBRSAOY-ZOYWYXQUSA-N 1 0 573.753 6.995 50 0 KKAARO Cc1nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000103022113 555213301 /nfs/dbraw/zinc/21/33/01/555213301.db2.gz XBPBNNCDDOWLAW-UHFFFAOYSA-N 1 0 572.701 5.023 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000103025297 555215456 /nfs/dbraw/zinc/21/54/56/555215456.db2.gz DCOBDWQGXBCJDU-UHFFFAOYSA-N 1 0 547.763 6.454 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000103025337 555215489 /nfs/dbraw/zinc/21/54/89/555215489.db2.gz KVQHBBKHNWVUQO-UHFFFAOYSA-N 1 0 546.518 6.208 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccccc3Br)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025509 555215662 /nfs/dbraw/zinc/21/56/62/555215662.db2.gz DJRKTQVEFQHDGN-UHFFFAOYSA-N 1 0 542.497 5.275 50 0 KKAARO Cc1ccc(-n2nc(-c3cccs3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(Cl)c2)cc1 ZINC000103059738 555240071 /nfs/dbraw/zinc/24/00/71/555240071.db2.gz QTODDOOFHJJVDZ-MUUNZHRXSA-N 1 0 580.179 5.410 50 0 KKAARO Cc1ccc(CO[C@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103124927 555293005 /nfs/dbraw/zinc/29/30/05/555293005.db2.gz UOYWHCFPOXRJSX-SMXDRTIVSA-N 1 0 590.683 5.381 50 0 KKAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103212114 555340194 /nfs/dbraw/zinc/34/01/94/555340194.db2.gz YZKWBVQAQUNQLR-UHFFFAOYSA-N 1 0 545.515 5.310 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363254 555365246 /nfs/dbraw/zinc/36/52/46/555365246.db2.gz KIKISGOANDWTGW-WINIVTDRSA-N 1 0 541.092 5.643 50 0 KKAARO COc1cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)ccc1OCc1ccccc1 ZINC000103393071 555377162 /nfs/dbraw/zinc/37/71/62/555377162.db2.gz MLYNICWTRHARCQ-XIFFEERXSA-N 1 0 587.764 7.011 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103411256 555396858 /nfs/dbraw/zinc/39/68/58/555396858.db2.gz SPFZTCMBWSHFIP-HVIPQOSHSA-N 1 0 555.763 6.856 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000103419207 555399299 /nfs/dbraw/zinc/39/92/99/555399299.db2.gz HMZABCSOXPZFOD-NEEKEDPPSA-N 1 0 577.735 8.166 50 0 KKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1 ZINC000103427971 555410026 /nfs/dbraw/zinc/41/00/26/555410026.db2.gz YWUNTFDLIOHSAP-UMSFTDKQSA-N 1 0 592.183 8.178 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1)NCC[NH+]1CCCC1 ZINC000103429975 555412571 /nfs/dbraw/zinc/41/25/71/555412571.db2.gz XGGBDBCINDOCAU-RUZDIDTESA-N 1 0 554.056 7.096 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435236 555417753 /nfs/dbraw/zinc/41/77/53/555417753.db2.gz FIKKHZGZLLGDJB-WNCULLNHSA-N 1 0 533.009 7.264 50 0 KKAARO CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103535305 555435072 /nfs/dbraw/zinc/43/50/72/555435072.db2.gz ALXHJQCNRVTVDH-KCQQKVKYSA-N 1 0 609.509 7.374 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103535902 555435624 /nfs/dbraw/zinc/43/56/24/555435624.db2.gz ZNGZJSUDQYPYSO-OSZGUBSQSA-N 1 0 582.700 6.875 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578604 555451255 /nfs/dbraw/zinc/45/12/55/555451255.db2.gz OCSSPPVRIBPKRC-MVQDXTSDSA-N 1 0 542.120 5.871 50 0 KKAARO FC(F)Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000103623428 555456905 /nfs/dbraw/zinc/45/69/05/555456905.db2.gz GWNGXBUPMMDDPN-DEOSSOPVSA-N 1 0 554.435 6.586 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000101671441 571361348 /nfs/dbraw/zinc/36/13/48/571361348.db2.gz STOAPNMOTXHAIM-CXNUKBDRSA-N 1 0 556.618 5.686 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287982 571361490 /nfs/dbraw/zinc/36/14/90/571361490.db2.gz SQCZTRWPUIZFTB-JWXXLELASA-N 1 0 568.673 6.766 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288008 571361574 /nfs/dbraw/zinc/36/15/74/571361574.db2.gz INUYKDTWZDTVGN-HATVSKDLSA-N 1 0 572.636 6.596 50 0 KKAARO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141710 571374680 /nfs/dbraw/zinc/37/46/80/571374680.db2.gz IPGGCZWBQGQORS-DCUJYUDKSA-N 1 0 566.654 5.426 50 0 KKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104920871 571387980 /nfs/dbraw/zinc/38/79/80/571387980.db2.gz XCNDMYKLQOKWQU-AZGAKELHSA-N 1 0 513.629 5.031 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104985335 571388703 /nfs/dbraw/zinc/38/87/03/571388703.db2.gz NWXYRCUVHTYKDD-IFMALSPDSA-N 1 0 507.389 5.298 50 0 KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984900 571388823 /nfs/dbraw/zinc/38/88/23/571388823.db2.gz YWJCPDUGNPGTHU-RBBKRZOGSA-N 1 0 507.389 5.298 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007150 571389204 /nfs/dbraw/zinc/38/92/04/571389204.db2.gz LAUGOIOKYRAZNE-VPUSJEBWSA-N 1 0 507.675 5.202 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105019214 571389331 /nfs/dbraw/zinc/38/93/31/571389331.db2.gz MBWCVSFPSHMRRG-XRKRLSELSA-N 1 0 508.628 7.028 50 0 KKAARO COc1cc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc(OC)c1 ZINC000105042234 571390244 /nfs/dbraw/zinc/39/02/44/571390244.db2.gz PNIKLBBJXAAJED-GIGWZHCTSA-N 1 0 558.616 6.628 50 0 KKAARO Cc1cc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042556 571390350 /nfs/dbraw/zinc/39/03/50/571390350.db2.gz HTDMDWOPRKQETE-UFHPHHKVSA-N 1 0 530.606 7.068 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000105061841 571391027 /nfs/dbraw/zinc/39/10/27/571391027.db2.gz VGZUEQGSTMMCAP-HLADLETHSA-N 1 0 543.777 6.065 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000105458706 571404911 /nfs/dbraw/zinc/40/49/11/571404911.db2.gz NOLXMBAQGGRIEN-IQLGONJTSA-N 1 0 508.707 5.170 50 0 KKAARO O=C1c2ccccc2[C@H]([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000110565222 571431681 /nfs/dbraw/zinc/43/16/81/571431681.db2.gz DQPCOOIKAATCSW-OENWMMNHSA-N 1 0 562.025 6.297 50 0 KKAARO CCCOc1ccc(C[NH+]2CCC([C@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3OC)CC2)cc1 ZINC000136992223 571449985 /nfs/dbraw/zinc/44/99/85/571449985.db2.gz ZNEZLTCCHRVKIG-SSEXGKCCSA-N 1 0 559.625 6.539 50 0 KKAARO CC(C)N(C)C(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000136993135 571449987 /nfs/dbraw/zinc/44/99/87/571449987.db2.gz FSKPUZIQBAYDJW-UHFFFAOYSA-N 1 0 607.639 7.744 50 0 KKAARO ClC1=C(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)CCC/C1=C\C=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000150339161 571457310 /nfs/dbraw/zinc/45/73/10/571457310.db2.gz LDGKYTBLPXFLOU-UHFFFAOYSA-N 1 0 662.343 13.735 50 0 KKAARO Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150343540 571459048 /nfs/dbraw/zinc/45/90/48/571459048.db2.gz RKCAXHKKTMSOHY-LICLKQGHSA-N 1 0 642.114 9.299 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000150346644 571460542 /nfs/dbraw/zinc/46/05/42/571460542.db2.gz ZMYVMODGCFGRFU-CYEXUTLASA-N 1 0 672.836 8.682 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CCC)CCC)cc1 ZINC000150388815 571471062 /nfs/dbraw/zinc/47/10/62/571471062.db2.gz WBAKANGOQUXAQD-UHFFFAOYSA-N 1 0 667.765 10.021 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150388838 571471200 /nfs/dbraw/zinc/47/12/00/571471200.db2.gz YDDBJZKGWFNUIT-UHFFFAOYSA-N 1 0 716.237 10.858 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150388827 571471226 /nfs/dbraw/zinc/47/12/26/571471226.db2.gz JZWAMYGKLJMVOU-UHFFFAOYSA-N 1 0 702.210 10.550 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150388987 571471344 /nfs/dbraw/zinc/47/13/44/571471344.db2.gz JTRJBXGZHAOXNZ-UHFFFAOYSA-N 1 0 650.521 9.553 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000150389110 571471425 /nfs/dbraw/zinc/47/14/25/571471425.db2.gz VKVSFSXVVLHMJF-UHFFFAOYSA-N 1 0 664.073 8.125 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000150389073 571471436 /nfs/dbraw/zinc/47/14/36/571471436.db2.gz YGLHFMQCKVQDQY-UHFFFAOYSA-N 1 0 671.709 8.424 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389184 571471556 /nfs/dbraw/zinc/47/15/56/571471556.db2.gz AEZIKUBAFYEVNQ-FOWTUZBSSA-N 1 0 656.141 9.607 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389173 571471565 /nfs/dbraw/zinc/47/15/65/571471565.db2.gz IWLPMEFGFFWBHX-XMHGGMMESA-N 1 0 670.168 9.943 50 0 KKAARO CCn1c2cc(-c3nc4ccccc4o3)ccc2[n+](-c2ccccc2)c1C=CC=CC=CC=C1N(c2ccccc2)c2ccccc2C1(C)C ZINC000223401431 571471824 /nfs/dbraw/zinc/47/18/24/571471824.db2.gz HGEZDVGEOXVUAO-UHFFFAOYSA-N 1 0 651.834 10.885 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150390552 571472826 /nfs/dbraw/zinc/47/28/26/571472826.db2.gz ZOSCSUAYGWJANS-GDLZYMKVSA-N 1 0 652.192 5.199 50 0 KKAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000150396249 571476364 /nfs/dbraw/zinc/47/63/64/571476364.db2.gz FQCVUSOATGFSAW-NDEPHWFRSA-N 1 0 642.678 6.259 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150396521 571476576 /nfs/dbraw/zinc/47/65/76/571476576.db2.gz RIKAKCAUSMEISA-HHHXNRCGSA-N 1 0 665.474 6.843 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414619 571485109 /nfs/dbraw/zinc/48/51/09/571485109.db2.gz ZGQCYVMPHDUMDP-WJOKGBTCSA-N 1 0 659.878 5.124 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000150639349 571524646 /nfs/dbraw/zinc/52/46/46/571524646.db2.gz HKBHXZSLPKDQER-NMYFZKPBSA-N 1 0 688.879 8.203 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150644173 571524828 /nfs/dbraw/zinc/52/48/28/571524828.db2.gz LLOMTMXQLYGCNY-DYKQPOOOSA-N 1 0 715.861 7.593 50 0 KKAARO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677608 571555137 /nfs/dbraw/zinc/55/51/37/571555137.db2.gz GIMKUDMQJZCYDI-RSXGOPAZSA-N 1 0 513.991 5.538 50 0 KKAARO CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)C[C@@H](O)Cc1ccccc1 ZINC000169680441 571556729 /nfs/dbraw/zinc/55/67/29/571556729.db2.gz GDGPIOMHNOXQIS-MHZLTWQESA-N 1 0 516.636 5.134 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169682000 571557694 /nfs/dbraw/zinc/55/76/94/571557694.db2.gz JPOOTSDVFNVPJE-PZGXJGMVSA-N 1 0 501.696 5.021 50 0 KKAARO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681925 571557778 /nfs/dbraw/zinc/55/77/78/571557778.db2.gz CAUVRAMUISFTTM-OZXSUGGESA-N 1 0 531.981 5.677 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613396 571561926 /nfs/dbraw/zinc/56/19/26/571561926.db2.gz JWHCSLSSRVHCLF-ZBLYBZFDSA-N 1 0 533.068 6.400 50 0 KKAARO Clc1cccc(Cl)c1Cn1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491656 572110378 /nfs/dbraw/zinc/11/03/78/572110378.db2.gz BIMUXIWGVPHZGT-UHFFFAOYSA-N 1 0 523.493 6.244 50 0 KKAARO Fc1ccc(Cn2cc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c3ccccc32)c(Cl)c1 ZINC000261492534 572111041 /nfs/dbraw/zinc/11/10/41/572111041.db2.gz GXGKIHACYDZNMS-UHFFFAOYSA-N 1 0 507.038 5.730 50 0 KKAARO COc1ccccc1CNC(=O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000299761431 572135092 /nfs/dbraw/zinc/13/50/92/572135092.db2.gz WNHJFSMZSJSLIV-MFMCTBQISA-N 1 0 591.196 5.467 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000299778044 572136573 /nfs/dbraw/zinc/13/65/73/572136573.db2.gz FJWRKMGHZGKTJA-BHBYDHKZSA-N 1 0 579.160 5.597 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2cc(C)c(C)[nH]c2=O)cc1 ZINC000299798540 572137880 /nfs/dbraw/zinc/13/78/80/572137880.db2.gz SVPWUCYIUFZJJJ-UHFFFAOYSA-N 1 0 530.694 5.554 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1OC ZINC000229999315 572177763 /nfs/dbraw/zinc/17/77/63/572177763.db2.gz SUJODGZTLOJDDP-NIKYWZLZSA-N 1 0 557.606 5.081 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174500 572191850 /nfs/dbraw/zinc/19/18/50/572191850.db2.gz QDRWJGGEHHAYQU-NVLQXZLSSA-N 1 0 523.714 5.344 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000245108465 572200913 /nfs/dbraw/zinc/20/09/13/572200913.db2.gz SYHLRCGHVPPVBA-MUUNZHRXSA-N 1 0 600.682 5.309 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279513 572223955 /nfs/dbraw/zinc/22/39/55/572223955.db2.gz GQFCRXRYAJLBCZ-KCWPFWIISA-N 1 0 512.572 5.992 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245330413 572236412 /nfs/dbraw/zinc/23/64/12/572236412.db2.gz YIPQTEYEQKRBKX-IGKIAQTJSA-N 1 0 514.563 6.117 50 0 KKAARO COc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343226 572237718 /nfs/dbraw/zinc/23/77/18/572237718.db2.gz IUSLYDADBBCUFE-ZHNVJZHNSA-N 1 0 567.085 6.328 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464698 572242405 /nfs/dbraw/zinc/24/24/05/572242405.db2.gz CEWYQWIONLSANJ-JOCHJYFZSA-N 1 0 517.471 5.359 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465573 572242411 /nfs/dbraw/zinc/24/24/11/572242411.db2.gz CLSFPNBTWDUAFM-OAQYLSRUSA-N 1 0 551.916 6.012 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496630 572242579 /nfs/dbraw/zinc/24/25/79/572242579.db2.gz OJULPNNZVZVZOL-FQEVSTJZSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754552 572244801 /nfs/dbraw/zinc/24/48/01/572244801.db2.gz WFLCYMVAZHQCRY-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826156 572245580 /nfs/dbraw/zinc/24/55/80/572245580.db2.gz JGXOCHKFLKKATN-JOCHJYFZSA-N 1 0 655.424 6.291 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828048 572245633 /nfs/dbraw/zinc/24/56/33/572245633.db2.gz JVPOUEPEGBSJJR-QFIPXVFZSA-N 1 0 560.073 5.015 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842930 572245964 /nfs/dbraw/zinc/24/59/64/572245964.db2.gz FZTQSCRLCHIVMZ-QFIPXVFZSA-N 1 0 576.514 5.488 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860009 572246485 /nfs/dbraw/zinc/24/64/85/572246485.db2.gz FRDGXLJPCAFPDZ-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857621 572246519 /nfs/dbraw/zinc/24/65/19/572246519.db2.gz DNSRONZYSXNCCQ-MHZLTWQESA-N 1 0 556.154 5.916 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859647 572246579 /nfs/dbraw/zinc/24/65/79/572246579.db2.gz MDORLIAZVNIAEA-HSZRJFAPSA-N 1 0 596.990 6.606 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860013 572246637 /nfs/dbraw/zinc/24/66/37/572246637.db2.gz FRDGXLJPCAFPDZ-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868422 572247182 /nfs/dbraw/zinc/24/71/82/572247182.db2.gz PPUDDIXEGOGHDU-NRFANRHFSA-N 1 0 566.508 6.032 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247868522 572247279 /nfs/dbraw/zinc/24/72/79/572247279.db2.gz PTAQYLFHRYBJMG-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876011 572247369 /nfs/dbraw/zinc/24/73/69/572247369.db2.gz TWVVAIDTKZATTP-XMMPIXPASA-N 1 0 562.545 5.952 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877588 572248046 /nfs/dbraw/zinc/24/80/46/572248046.db2.gz HRKUDLRLOWSQRK-RUZDIDTESA-N 1 0 558.126 5.307 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882243 572248404 /nfs/dbraw/zinc/24/84/04/572248404.db2.gz JHTFZAGYGKWYPI-XMMPIXPASA-N 1 0 576.116 5.447 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910063 572249192 /nfs/dbraw/zinc/24/91/92/572249192.db2.gz UERBSOCHHLJTAY-MUUNZHRXSA-N 1 0 551.735 5.271 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939349 572249908 /nfs/dbraw/zinc/24/99/08/572249908.db2.gz OYDGXEWGGXGYOI-JOCHJYFZSA-N 1 0 620.979 5.638 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000247972669 572251223 /nfs/dbraw/zinc/25/12/23/572251223.db2.gz DPQWSEXWSCVMDM-ZXRKZBAXSA-N 1 0 524.627 5.875 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248009358 572252267 /nfs/dbraw/zinc/25/22/67/572252267.db2.gz IQGLJKGZLRIGOW-XCZPVHLTSA-N 1 0 539.001 6.015 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083684 572253278 /nfs/dbraw/zinc/25/32/78/572253278.db2.gz DQVFRHXIWXRRCN-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089900 572253384 /nfs/dbraw/zinc/25/33/84/572253384.db2.gz MIOIMFUAKFSCJR-FUFSCUOVSA-N 1 0 509.760 5.671 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000248091452 572253400 /nfs/dbraw/zinc/25/34/00/572253400.db2.gz MNYODBKMFQHKQZ-RNWIMVQKSA-N 1 0 507.744 5.424 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248100979 572253550 /nfs/dbraw/zinc/25/35/50/572253550.db2.gz JOUBMNNMQPSEBR-DEOSSOPVSA-N 1 0 511.645 5.034 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000248116570 572253885 /nfs/dbraw/zinc/25/38/85/572253885.db2.gz BJPJUHPTPGEYRF-HXLKRRFRSA-N 1 0 586.644 5.694 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121610 572254247 /nfs/dbraw/zinc/25/42/47/572254247.db2.gz SAVYTGWDLKJHKL-PXJZQJOASA-N 1 0 508.628 7.028 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132476 572254772 /nfs/dbraw/zinc/25/47/72/572254772.db2.gz LIWKFODRJVSXHM-RUZDIDTESA-N 1 0 558.126 5.307 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160187 572255975 /nfs/dbraw/zinc/25/59/75/572255975.db2.gz ODJQVBCFNBETAD-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167442 572256242 /nfs/dbraw/zinc/25/62/42/572256242.db2.gz SMZIVQGSJKQGLY-MHZLTWQESA-N 1 0 556.154 5.916 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249246 572257166 /nfs/dbraw/zinc/25/71/66/572257166.db2.gz ROTDXEFQIGLLJT-NVQXNPDNSA-N 1 0 501.568 6.187 50 0 KKAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274433 572257788 /nfs/dbraw/zinc/25/77/88/572257788.db2.gz XQGNBFUTMDLDSY-RBBKRZOGSA-N 1 0 517.471 5.877 50 0 KKAARO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011069 572259666 /nfs/dbraw/zinc/25/96/66/572259666.db2.gz SBTGKISUTXKMIF-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CCc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000252020301 572259941 /nfs/dbraw/zinc/25/99/41/572259941.db2.gz YAOLLGJWWMSAFU-UHFFFAOYSA-N 1 0 517.471 6.201 50 0 KKAARO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)OC(c4ccccc4)c4ccccc4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000252347075 572260065 /nfs/dbraw/zinc/26/00/65/572260065.db2.gz SQXOXQDFBMILLG-UJOGNLFBSA-N 1 0 540.619 5.843 50 0 KKAARO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)OC(c4ccccc4)c4ccccc4)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000252347076 572260129 /nfs/dbraw/zinc/26/01/29/572260129.db2.gz SQXOXQDFBMILLG-XFBWMNOSSA-N 1 0 540.619 5.843 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@H]3CCC[C@H]3[NH+]3CCN(C)CC3)cc2)CC1 ZINC000252512221 572262150 /nfs/dbraw/zinc/26/21/50/572262150.db2.gz ODKQFULXUUADEW-MUACBXGZSA-N 1 0 510.122 5.686 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252537624 572263001 /nfs/dbraw/zinc/26/30/01/572263001.db2.gz LVQUXHKZDJLRJA-XLJNKUFUSA-N 1 0 688.891 5.177 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccccc1 ZINC000252586662 572265620 /nfs/dbraw/zinc/26/56/20/572265620.db2.gz RQLLBFHXZIPOAD-HALXNPGUSA-N 1 0 633.233 5.282 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252587517 572266246 /nfs/dbraw/zinc/26/62/46/572266246.db2.gz YWMBPVDTEHODPQ-AXBJABAESA-N 1 0 639.624 5.444 50 0 KKAARO Clc1ccc(CC[NH2+]Cc2nn(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c(Cl)c1 ZINC000253491963 572291558 /nfs/dbraw/zinc/29/15/58/572291558.db2.gz OJWJDIJXBGFFND-UHFFFAOYSA-N 1 0 506.264 6.939 50 0 KKAARO CN(C)c1ccc(-c2cc(-c3ccccc3)[n+](C[C@@]3(O)CC[C@@H]4[C@@H]5CC[C@@]6(C)CCCC[C@]6(C)[C@H]5CC[C@@]43C)c(-c3ccccc3)c2)cc1 ZINC000253522710 572297736 /nfs/dbraw/zinc/29/77/36/572297736.db2.gz NVBRMCWACQRTTK-FVMPTUEFSA-N 1 0 653.975 10.595 50 0 KKAARO CN(C)c1ccc(-c2cc(-c3ccccc3)[n+](C[C@@]3(O)CC[C@@H]4[C@@H]5CC[C@@]6(C)CCCC[C@]6(C)[C@H]5CC[C@]43C)c(-c3ccccc3)c2)cc1 ZINC000253522711 572297746 /nfs/dbraw/zinc/29/77/46/572297746.db2.gz NVBRMCWACQRTTK-NGVKXRGBSA-N 1 0 653.975 10.595 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607393 572300959 /nfs/dbraw/zinc/30/09/59/572300959.db2.gz QUVHGMSQBNXAKF-VWLOTQADSA-N 1 0 539.699 5.849 50 0 KKAARO COc1cc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)ccc1OCc1ccccc1 ZINC000022023285 1069756050 /nfs/dbraw/zinc/75/60/50/1069756050.db2.gz SEUHZHQHSUSYKX-YTTGMZPUSA-N 1 0 530.064 7.093 50 0 KKAARO O=C(CCN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000022456112 1069790738 /nfs/dbraw/zinc/79/07/38/1069790738.db2.gz MHUGXTWFEMPOES-UHFFFAOYSA-N 1 0 541.683 6.667 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964918 1069838003 /nfs/dbraw/zinc/83/80/03/1069838003.db2.gz TUORCACQSBWQAY-HHHXNRCGSA-N 1 0 561.648 6.746 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524734350 1069837635 /nfs/dbraw/zinc/83/76/35/1069837635.db2.gz VNYYKQSVMBBOAN-JSXFGMRASA-N 1 0 583.216 7.864 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1 ZINC000101999756 1069839867 /nfs/dbraw/zinc/83/98/67/1069839867.db2.gz QQVTUVILUGMNRD-RPBOFIJWSA-N 1 0 560.016 5.179 50 0 KKAARO CCCCOc1ccc([C@@](O)(c2ccccc2)[C@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733248 1069838470 /nfs/dbraw/zinc/83/84/70/1069838470.db2.gz JNILQXKQXROHPY-BZFILIQBSA-N 1 0 548.771 7.324 50 0 KKAARO COc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000524735254 1069839241 /nfs/dbraw/zinc/83/92/41/1069839241.db2.gz LQCWCGOEWWQGLQ-LQJZCPKCSA-N 1 0 561.553 7.038 50 0 KKAARO O=C(c1cccc(-c2ccc(F)cc2)c1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000023129358 1069846642 /nfs/dbraw/zinc/84/66/42/1069846642.db2.gz QVDMHUIQUYDEFI-UHFFFAOYSA-N 1 0 525.624 5.441 50 0 KKAARO COc1ccc(OC)c(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248244346 1069850603 /nfs/dbraw/zinc/85/06/03/1069850603.db2.gz GEHKWNZHBVKLTB-ALEUWEQBSA-N 1 0 536.628 5.418 50 0 KKAARO O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102469983 1069859015 /nfs/dbraw/zinc/85/90/15/1069859015.db2.gz TUYRNODSKLRTHV-NDEPHWFRSA-N 1 0 576.137 5.784 50 0 KKAARO CC[S+]=C1C(=CC=C2N(C)c3ccccc3C2(C)C)CCCC1=CC=C1N(C)c2ccccc2C1(C)C ZINC000685944734 1070945690 /nfs/dbraw/zinc/94/56/90/1070945690.db2.gz YXSKATFBRPJKDZ-UHFFFAOYSA-N 1 0 509.783 8.678 50 0 KKAARO CCOC(=O)c1ccc2c(c1)N(CC)C(=CC=C(Cl)C=Cc1n(CC)c3cc(C(=O)OCC)ccc3[n+]1-c1ccccc1)N2c1ccccc1 ZINC000685944447 1070941983 /nfs/dbraw/zinc/94/19/83/1070941983.db2.gz NDFLECRGFFCBRY-UHFFFAOYSA-N 1 0 688.248 8.947 50 0 KKAARO CN1c2ccccc2C2(CCCCC2)/C1=C\C=C1\CCCC(/C=C/C2=[N+](C)c3ccccc3C23CCCCC3)=C1c1ccccc1 ZINC000685944399 1070943034 /nfs/dbraw/zinc/94/30/34/1070943034.db2.gz HOLBDUXGFUCIHO-UHFFFAOYSA-N 1 0 605.890 10.973 50 0 KKAARO COc1ccc2[nH]cc(CCNC(=O)CCC[C@@H]3[C@H]4CCC[N@@H+]5CCC[C@@H](CN3C(=O)c3ccccc3)[C@@H]45)c2c1 ZINC000257193658 1070975652 /nfs/dbraw/zinc/97/56/52/1070975652.db2.gz RVWXAMJINHIQNE-RJOCXUNNSA-N 1 0 542.724 5.021 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)CC2)c1 ZINC000299770240 1071048081 /nfs/dbraw/zinc/04/80/81/1071048081.db2.gz OIOSVFPXQONTIV-UHFFFAOYSA-N 1 0 506.647 5.398 50 0 KKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H]3C[C@@H](C(=O)NCc4cccnc4)N(Cc4ccc(Cl)cc4)C3)ccc21 ZINC000299789965 1071049317 /nfs/dbraw/zinc/04/93/17/1071049317.db2.gz AMZOSLFDKWKHKI-UCGGBYDDSA-N 1 0 552.122 5.912 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@H]3CCOC3)C2)CC1 ZINC000012282835 1071223900 /nfs/dbraw/zinc/22/39/00/1071223900.db2.gz SHLNAEADAZMPGD-QHCPKHFHSA-N 1 0 522.667 5.551 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(Cc2nc4ccccc4n2C)C3)s1 ZINC000011784917 1071231613 /nfs/dbraw/zinc/23/16/13/1071231613.db2.gz ZBEDQHAAJJEJSQ-QFIPXVFZSA-N 1 0 516.711 5.725 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881537 1071233112 /nfs/dbraw/zinc/23/31/12/1071233112.db2.gz JPWBERJMXKUKJK-LJAQVGFWSA-N 1 0 523.677 6.339 50 0 KKAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1cccnc1 ZINC000011911371 1071233643 /nfs/dbraw/zinc/23/36/43/1071233643.db2.gz CJMQRTBHXPAIKN-AMGIVPHBSA-N 1 0 523.662 5.171 50 0 KKAARO Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C[N@H+](C)Cc5ccsc5)c4)CC3)cc2)cc1 ZINC000011982148 1071234608 /nfs/dbraw/zinc/23/46/08/1071234608.db2.gz FRTMLQDAVXGSKR-UHFFFAOYSA-N 1 0 510.703 7.039 50 0 KKAARO CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011998339 1071234636 /nfs/dbraw/zinc/23/46/36/1071234636.db2.gz GGNXUELXQHGAGG-UHFFFAOYSA-N 1 0 531.575 5.340 50 0 KKAARO CC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3OCCc3ccccn3)C2)CC1 ZINC000012182905 1071238289 /nfs/dbraw/zinc/23/82/89/1071238289.db2.gz MGBFVAYLYOHTSU-UHFFFAOYSA-N 1 0 527.690 5.790 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCCO3)C2)CC1 ZINC000012327172 1071244542 /nfs/dbraw/zinc/24/45/42/1071244542.db2.gz PPQUALLNHMZHCB-DEOSSOPVSA-N 1 0 514.688 5.487 50 0 KKAARO COc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 ZINC000102096933 1071266893 /nfs/dbraw/zinc/26/68/93/1071266893.db2.gz VMMKKQVGDOYRAS-YZNIXAGQSA-N 1 0 546.086 5.733 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(/C=C\c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000102936645 1071321268 /nfs/dbraw/zinc/32/12/68/1071321268.db2.gz XTCYTZQBJDEKDE-WTJJODKQSA-N 1 0 586.739 9.601 50 0 KKAARO CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000254701978 1072871168 /nfs/dbraw/zinc/87/11/68/1072871168.db2.gz YZPSHMCYNFTPDB-UHFFFAOYSA-N 1 0 510.560 5.401 50 0 KKAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014538019 1072891611 /nfs/dbraw/zinc/89/16/11/1072891611.db2.gz WESGOXIPSJRNEP-WIOPSUGQSA-N 1 0 510.600 6.435 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NC3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014753660 1072891978 /nfs/dbraw/zinc/89/19/78/1072891978.db2.gz LWCTUTJHZXOAGL-LEWJYISDSA-N 1 0 520.592 5.299 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879132 1072892069 /nfs/dbraw/zinc/89/20/69/1072892069.db2.gz JPBPHAFFSRHXKI-MHZLTWQESA-N 1 0 511.641 6.470 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879133 1072892412 /nfs/dbraw/zinc/89/24/12/1072892412.db2.gz JPBPHAFFSRHXKI-HHHXNRCGSA-N 1 0 511.641 6.470 50 0 KKAARO O=C(Cc1cccs1)N1CCC[C@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014992268 1072894870 /nfs/dbraw/zinc/89/48/70/1072894870.db2.gz WLGIRAFRHPIRAQ-NDEPHWFRSA-N 1 0 502.724 6.063 50 0 KKAARO O=C(c1ccccn1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055253213 1072899584 /nfs/dbraw/zinc/89/95/84/1072899584.db2.gz WWDBUEDVHHMCLT-AREMUKBSSA-N 1 0 519.089 5.521 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000655424 551513956 /nfs/dbraw/zinc/51/39/56/551513956.db2.gz BOJAXOHWYZMMKZ-UHFFFAOYSA-N 1 0 519.980 5.524 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000000696188 551527949 /nfs/dbraw/zinc/52/79/49/551527949.db2.gz AXRSCDOGGNULJA-UHFFFAOYSA-N 1 0 562.538 6.269 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000001322172 551641740 /nfs/dbraw/zinc/64/17/40/551641740.db2.gz DTLUTYPHOACBQO-LJAQVGFWSA-N 1 0 505.058 7.084 50 0 biogenic KKAARO CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N23)cc1 ZINC000002092589 551759282 /nfs/dbraw/zinc/75/92/82/551759282.db2.gz SBYRWCGEUZZDJO-LITSAYRRSA-N 1 0 512.698 5.285 50 0 biogenic KKAARO Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002246609 551799843 /nfs/dbraw/zinc/79/98/43/551799843.db2.gz BFIJFPAWGUSNGC-DHIUTWEWSA-N 1 0 509.766 6.046 50 0 KKAARO Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002246607 551799852 /nfs/dbraw/zinc/79/98/52/551799852.db2.gz BFIJFPAWGUSNGC-XZOQPEGZSA-N 1 0 509.766 6.046 50 0 KKAARO Brc1ccc(-[n+]2c3c(cc4c2[C@H](C2=CCCCC2)CCC4)CCC[C@H]3C2=CCCCC2)cc1 ZINC000002306008 552090348 /nfs/dbraw/zinc/09/03/48/552090348.db2.gz BWMHCJRXTZFTMZ-VMPREFPWSA-N 1 0 503.548 8.566 50 0 KKAARO CC[NH+](CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000002337133 552097296 /nfs/dbraw/zinc/09/72/96/552097296.db2.gz BSSZXDJYYOVOMY-UHFFFAOYSA-N 1 0 517.626 5.070 50 0 KKAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000002402032 552111476 /nfs/dbraw/zinc/11/14/76/552111476.db2.gz CGJPRHXBMRSSLE-AREMUKBSSA-N 1 0 518.997 5.141 50 0 KKAARO CCCC[NH+](CCCC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000002689997 552158128 /nfs/dbraw/zinc/15/81/28/552158128.db2.gz DBWTUDPXCRAXRB-LJQANCHMSA-N 1 0 510.314 6.583 50 0 KKAARO CCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000002853827 552201858 /nfs/dbraw/zinc/20/18/58/552201858.db2.gz QQPKHIVFSTZNRJ-MHZLTWQESA-N 1 0 533.024 5.531 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2)CC(C)C ZINC000002912787 552215345 /nfs/dbraw/zinc/21/53/45/552215345.db2.gz XSWIWZXRUWWVKL-UHFFFAOYSA-N 1 0 564.195 7.386 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000003029590 552267970 /nfs/dbraw/zinc/26/79/70/552267970.db2.gz JZCMPPRTQMKQNN-UHFFFAOYSA-N 1 0 502.840 5.594 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034066 552268594 /nfs/dbraw/zinc/26/85/94/552268594.db2.gz MUFHLXCUSBFWBV-UHFFFAOYSA-N 1 0 517.145 6.266 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003036002 552271497 /nfs/dbraw/zinc/27/14/97/552271497.db2.gz FFTXBYMEHSPZMO-TURZUDJPSA-N 1 0 562.508 5.633 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040370 552272769 /nfs/dbraw/zinc/27/27/69/552272769.db2.gz VRRANXHGVNBDQR-UHFFFAOYSA-N 1 0 515.723 6.549 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040365 552272794 /nfs/dbraw/zinc/27/27/94/552272794.db2.gz DSQMYDWGVLZLFI-DNQXCXABSA-N 1 0 527.734 6.404 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000003061358 552282357 /nfs/dbraw/zinc/28/23/57/552282357.db2.gz WPJOOZSCRNGBKU-AWSUPERCSA-N 1 0 553.772 7.059 50 0 KKAARO C[NH+](C)[C@H](CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000003339982 552362428 /nfs/dbraw/zinc/36/24/28/552362428.db2.gz MIZAFJAPVDZMMH-XMMPIXPASA-N 1 0 512.601 5.615 50 0 KKAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]CCSc2ccc(Br)cc2)cc1 ZINC000003355902 552369050 /nfs/dbraw/zinc/36/90/50/552369050.db2.gz DNQSXGRFIYQFFM-QHCPKHFHSA-N 1 0 500.502 5.897 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)C2=O)cc1 ZINC000003586501 552391803 /nfs/dbraw/zinc/39/18/03/552391803.db2.gz WNWIVZNFJDFXLJ-JBASAIQMSA-N 1 0 509.650 5.568 50 0 KKAARO COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000003646177 552401689 /nfs/dbraw/zinc/40/16/89/552401689.db2.gz RLDNPRSBCNGDIB-CXUHLZMHSA-N 1 0 539.632 6.544 50 0 KKAARO C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014961 552426433 /nfs/dbraw/zinc/42/64/33/552426433.db2.gz YCBHZQRQYLKSRS-LJAQVGFWSA-N 1 0 623.753 7.512 50 0 KKAARO O=C(Cc1c[nH]c2ccccc12)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004016184 552427254 /nfs/dbraw/zinc/42/72/54/552427254.db2.gz NUDZUEFSTKNRGQ-UHFFFAOYSA-N 1 0 575.712 7.922 50 0 KKAARO CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc(OCC)c1OCC ZINC000004122284 552440186 /nfs/dbraw/zinc/44/01/86/552440186.db2.gz YUVQCHGMEDMIBE-UHFFFAOYSA-N 1 0 562.736 5.332 50 0 KKAARO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004217252 552450010 /nfs/dbraw/zinc/45/00/10/552450010.db2.gz MDLAAYDRRZXJIF-UHFFFAOYSA-N 1 0 523.973 7.533 50 0 world KKAARO c1ccc(C(NCCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004552062 552466412 /nfs/dbraw/zinc/46/64/12/552466412.db2.gz WWJJAIMYZZLYOF-UHFFFAOYSA-N 1 0 558.769 8.540 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762093 552478826 /nfs/dbraw/zinc/47/88/26/552478826.db2.gz MNEXNVCVZJIIJZ-YTTGMZPUSA-N 1 0 629.827 5.417 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762187 552479092 /nfs/dbraw/zinc/47/90/92/552479092.db2.gz AHDLXXHBIYXABX-HHHXNRCGSA-N 1 0 614.574 5.676 50 0 KKAARO CC(C)Cn1cc(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000004789041 552482975 /nfs/dbraw/zinc/48/29/75/552482975.db2.gz AUOPWYWJGLDDSY-UHFFFAOYSA-N 1 0 512.698 5.224 50 0 KKAARO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1 ZINC000004846183 552488378 /nfs/dbraw/zinc/48/83/78/552488378.db2.gz BIWGYFZAEWGBAL-UHFFFAOYSA-N 1 0 551.654 6.320 50 0 in-vitro KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166814 552556926 /nfs/dbraw/zinc/55/69/26/552556926.db2.gz FPGFOBGMFYGICZ-UHFFFAOYSA-N 1 0 611.657 8.406 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166808 552556936 /nfs/dbraw/zinc/55/69/36/552556936.db2.gz JJRFNWUOZWUWHZ-UHFFFAOYSA-N 1 0 606.012 8.546 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000006166887 552557478 /nfs/dbraw/zinc/55/74/78/552557478.db2.gz PYDPJJRXZSMNRH-LICLKQGHSA-N 1 0 628.087 8.990 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000006166886 552557577 /nfs/dbraw/zinc/55/75/77/552557577.db2.gz MHVONMYTRXNVTE-DTQAZKPQSA-N 1 0 635.723 9.262 50 0 KKAARO CCOC(=O)c1cc(NCC[N@H+](C)C[C@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385953 552991535 /nfs/dbraw/zinc/99/15/35/552991535.db2.gz QHQIPBAICBCAPN-VWLOTQADSA-N 1 0 580.943 8.031 50 0 KKAARO CC[NH+](CC)C[C@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000008398867 552999816 /nfs/dbraw/zinc/99/98/16/552999816.db2.gz ZKKUPCHPZDHSHP-VWLOTQADSA-N 1 0 519.689 6.691 50 0 KKAARO CC[NH+](CC)C[C@H](O)CO[C@@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000008398900 553000101 /nfs/dbraw/zinc/00/01/01/553000101.db2.gz SGZKVAGYMSSVIL-KYJUHHDHSA-N 1 0 521.705 6.721 50 0 KKAARO COc1ccc(CC[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448315 553055782 /nfs/dbraw/zinc/05/57/82/553055782.db2.gz ZWVGOIOVQVYBPM-UHFFFAOYSA-N 1 0 569.542 6.683 50 0 KKAARO Cc1cccc(Oc2ccc(C[NH+]3CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)n1 ZINC000008448276 553055813 /nfs/dbraw/zinc/05/58/13/553055813.db2.gz AAACFFZSGFPDDC-UHFFFAOYSA-N 1 0 600.603 8.368 50 0 KKAARO CCC(=O)c1ccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448316 553055818 /nfs/dbraw/zinc/05/58/18/553055818.db2.gz PDVCYTGLKVNGHX-UHFFFAOYSA-N 1 0 581.553 7.225 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008583568 553080013 /nfs/dbraw/zinc/08/00/13/553080013.db2.gz FXPRKZKEPVACAU-RUZDIDTESA-N 1 0 580.150 5.718 50 0 KKAARO Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000008593363 553085557 /nfs/dbraw/zinc/08/55/57/553085557.db2.gz JHDZWRPBNBYOPB-UHFFFAOYSA-N 1 0 586.736 5.271 50 0 KKAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596692 553090989 /nfs/dbraw/zinc/09/09/89/553090989.db2.gz WZZNCJCYVMHQNE-UHFFFAOYSA-N 1 0 622.210 6.291 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597319 553092448 /nfs/dbraw/zinc/09/24/48/553092448.db2.gz PBDWAJNZHVWRAV-UHFFFAOYSA-N 1 0 549.760 5.694 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000008696045 553125572 /nfs/dbraw/zinc/12/55/72/553125572.db2.gz GJRJSGAKIAPDFN-XQJOSWFISA-N 1 0 623.798 6.150 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000008749483 553134941 /nfs/dbraw/zinc/13/49/41/553134941.db2.gz ABUUUEDBHBZQHV-CYTLCNBWSA-N 1 0 594.800 7.256 50 0 KKAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+]CC13CC4CC(CC(C4)C1)C3)c1ccccc1S2 ZINC000009046223 553203730 /nfs/dbraw/zinc/20/37/30/553203730.db2.gz MYEMJJLBOWGCQF-UHFFFAOYSA-N 1 0 505.684 6.580 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235456 553225200 /nfs/dbraw/zinc/22/52/00/553225200.db2.gz OMIHDSULDICLNE-NRFANRHFSA-N 1 0 509.275 6.500 50 0 KKAARO FC(F)Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000009331657 553242700 /nfs/dbraw/zinc/24/27/00/553242700.db2.gz CTHQDRHOBNALTE-IZLXSDGUSA-N 1 0 515.604 6.701 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009407172 553256827 /nfs/dbraw/zinc/25/68/27/553256827.db2.gz VJTDEFHECFLXHS-WDYNHAJCSA-N 1 0 530.738 5.013 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433328 553263112 /nfs/dbraw/zinc/26/31/12/553263112.db2.gz FJAIBEYEPBUOIH-XDAJTCOGSA-N 1 0 521.727 6.085 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433570 553263341 /nfs/dbraw/zinc/26/33/41/553263341.db2.gz DREGXDDIMRKLTI-WDYNHAJCSA-N 1 0 513.707 5.752 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009473179 553270730 /nfs/dbraw/zinc/27/07/30/553270730.db2.gz PQFDANYFWBEJDC-OAQYLSRUSA-N 1 0 513.107 5.113 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009496761 553274608 /nfs/dbraw/zinc/27/46/08/553274608.db2.gz ITEPLFRUJBXLTA-HXUWFJFHSA-N 1 0 506.391 5.796 50 0 KKAARO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009609599 553287852 /nfs/dbraw/zinc/28/78/52/553287852.db2.gz OKUYXHMMFOKJOF-UHFFFAOYSA-N 1 0 530.116 5.670 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610207 553288346 /nfs/dbraw/zinc/28/83/46/553288346.db2.gz RGHZHUQOWXXIQD-UHFFFAOYSA-N 1 0 523.725 5.739 50 0 KKAARO CCCCc1ccc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000009777093 553306445 /nfs/dbraw/zinc/30/64/45/553306445.db2.gz WTTACZHMVLDMBQ-UHFFFAOYSA-N 1 0 509.650 7.469 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000009857857 553313801 /nfs/dbraw/zinc/31/38/01/553313801.db2.gz KJKYZOJOYBHPNK-IHLOFXLRSA-N 1 0 529.750 6.022 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066848 553327868 /nfs/dbraw/zinc/32/78/68/553327868.db2.gz NPWGKRNGQCVQNB-UHFFFAOYSA-N 1 0 501.608 5.245 50 0 KKAARO COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CC[NH+](C)C)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000011913348 553349151 /nfs/dbraw/zinc/34/91/51/553349151.db2.gz OGJLXTLQMKTSMM-UHFFFAOYSA-N 1 0 529.662 5.565 50 0 KKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)Cc3csc(C)n3)cc12 ZINC000011913447 553349153 /nfs/dbraw/zinc/34/91/53/553349153.db2.gz IGCWRACCOPICPE-UHFFFAOYSA-N 1 0 518.683 5.125 50 0 KKAARO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2cc3ccc(F)cc3nc2-c2ccccc2C)c1OC ZINC000012151901 553352519 /nfs/dbraw/zinc/35/25/19/553352519.db2.gz NNFBLLBGRXZRLN-UHFFFAOYSA-N 1 0 501.602 5.571 50 0 KKAARO CC(C)(C)c1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc(C(C)(C)C)c1O ZINC000012630929 553405546 /nfs/dbraw/zinc/40/55/46/553405546.db2.gz CZMQEVQPLSXXAX-UHFFFAOYSA-N 1 0 505.747 5.544 50 0 KKAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCC(Cc4ccccc4)CC3)c(=O)cc21 ZINC000012657973 553411001 /nfs/dbraw/zinc/41/10/01/553411001.db2.gz XRYYEMCKNVICKU-SANMLTNESA-N 1 0 514.666 5.405 50 0 biogenic KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012872050 553424194 /nfs/dbraw/zinc/42/41/94/553424194.db2.gz CYIQITBIFVVIGC-WDFOCSDYSA-N 1 0 525.730 5.794 50 0 biogenic KKAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000013016779 553433044 /nfs/dbraw/zinc/43/30/44/553433044.db2.gz NUESKOJQGWDPKR-UHFFFAOYSA-N 1 0 517.583 6.960 50 0 KKAARO Brc1ccc(N=[P@@](c2ccccc2)([C@@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000013301178 553457831 /nfs/dbraw/zinc/45/78/31/553457831.db2.gz BHWBEBOUVXNHCN-UTONBFNKSA-N 1 0 530.447 5.623 50 0 KKAARO CCOc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000013543598 553469740 /nfs/dbraw/zinc/46/97/40/553469740.db2.gz GNYMYZXEVAJDIH-UHFFFAOYSA-N 1 0 511.135 6.273 50 0 KKAARO Clc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000013582276 553475786 /nfs/dbraw/zinc/47/57/86/553475786.db2.gz UTDMRAJDKWAHBY-VWLOTQADSA-N 1 0 522.874 6.638 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000013597573 553477218 /nfs/dbraw/zinc/47/72/18/553477218.db2.gz ZZMDIORJTDCAGF-NRFANRHFSA-N 1 0 509.275 6.500 50 0 KKAARO Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000013842927 553493315 /nfs/dbraw/zinc/49/33/15/553493315.db2.gz NKXOBFDWFRUORD-HKBQPEDESA-N 1 0 506.650 5.291 50 0 KKAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4cn(C)c5ccccc45)CC3)C2=O)c1 ZINC000014749364 553520289 /nfs/dbraw/zinc/52/02/89/553520289.db2.gz QTGITLFDUURMID-UHFFFAOYSA-N 1 0 502.659 5.032 50 0 KKAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014748527 553520352 /nfs/dbraw/zinc/52/03/52/553520352.db2.gz ZBEKJGFFQHGWAN-IZZNHLLZSA-N 1 0 510.600 5.624 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014755233 553520456 /nfs/dbraw/zinc/52/04/56/553520456.db2.gz DPNPZXKJDPHUKH-WUFINQPMSA-N 1 0 509.625 5.415 50 0 KKAARO COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000014988145 553523805 /nfs/dbraw/zinc/52/38/05/553523805.db2.gz NIDMXKANZRWMFV-OAQYLSRUSA-N 1 0 506.668 5.488 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319720 553531808 /nfs/dbraw/zinc/53/18/08/553531808.db2.gz SMXGJCRSRYGRBF-NWJSTBPLSA-N 1 0 531.598 5.409 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827609 553537052 /nfs/dbraw/zinc/53/70/52/553537052.db2.gz IOJPXLYZXYCIKF-QFIPXVFZSA-N 1 0 524.665 5.975 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947273 553545029 /nfs/dbraw/zinc/54/50/29/553545029.db2.gz PCJZLEHPKDVDPF-NRFANRHFSA-N 1 0 502.423 6.081 50 0 KKAARO Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)C(=O)N1 ZINC000015951911 553545635 /nfs/dbraw/zinc/54/56/35/553545635.db2.gz AYUHAHUQNVUQFW-DLFZDVPBSA-N 1 0 510.638 5.159 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179294 553603113 /nfs/dbraw/zinc/60/31/13/553603113.db2.gz RYDAKUSTUOSDME-ANYBSYGZSA-N 1 0 513.613 5.398 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181110 553604203 /nfs/dbraw/zinc/60/42/03/553604203.db2.gz UCOIZSURWIVXKY-NCELDCMTSA-N 1 0 500.108 5.838 50 0 KKAARO c1ccc(Nc2nc(Nc3ccccc3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000018116371 553605039 /nfs/dbraw/zinc/60/50/39/553605039.db2.gz YGOXLOXHJYJBMN-UHFFFAOYSA-N 1 0 513.649 6.270 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000070687179 553606362 /nfs/dbraw/zinc/60/63/62/553606362.db2.gz LQRYJSOKRCGDGI-RAKGNZCGSA-N 1 0 520.664 5.986 50 0 biogenic KKAARO CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CC(C)(C)[NH2+]C(C)(C)C4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070700338 553618186 /nfs/dbraw/zinc/61/81/86/553618186.db2.gz XPRWXYBZAYHDAO-WOPWWUTRSA-N 1 0 572.750 5.306 50 0 biogenic KKAARO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070700615 553618862 /nfs/dbraw/zinc/61/88/62/553618862.db2.gz PZJDKLQOLQQWQS-MRPYTORDSA-N 1 0 535.644 5.105 50 0 biogenic KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242259 553627054 /nfs/dbraw/zinc/62/70/54/553627054.db2.gz HSKDNTGSBNFZMJ-BHVANESWSA-N 1 0 524.086 5.129 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)CC(C)C ZINC000020242835 553628103 /nfs/dbraw/zinc/62/81/03/553628103.db2.gz IIKLIAJFIMRSKY-LHEWISCISA-N 1 0 531.722 5.358 50 0 KKAARO c1ccc([C@H]2CC[C@H](c3ccccc3)P2CC[PH+]2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)cc1 ZINC000071769508 553636438 /nfs/dbraw/zinc/63/64/38/553636438.db2.gz VHHAZLMVLLIMHT-YFRBGRBWSA-N 1 0 506.610 10.503 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355160 553640764 /nfs/dbraw/zinc/64/07/64/553640764.db2.gz WZUPHEDXXYWDIW-LJAKKAIASA-N 1 0 525.718 6.198 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355195 553641035 /nfs/dbraw/zinc/64/10/35/553641035.db2.gz WUTOPTZZKLYHRM-KWLUCORDSA-N 1 0 537.704 6.346 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173310 553645293 /nfs/dbraw/zinc/64/52/93/553645293.db2.gz WBNPBXSTUXIXRN-CHZMNLISSA-N 1 0 550.124 5.519 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508484 553668006 /nfs/dbraw/zinc/66/80/06/553668006.db2.gz XOMYJDZULCAASN-VMPREFPWSA-N 1 0 530.738 5.461 50 0 KKAARO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508714 553668332 /nfs/dbraw/zinc/66/83/32/553668332.db2.gz YXFSFFJSJMLLLX-LOYHVIPDSA-N 1 0 527.734 6.842 50 0 KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612100 553679647 /nfs/dbraw/zinc/67/96/47/553679647.db2.gz UPYWLQWRUNUSPT-QDJWJZQCSA-N 1 0 517.113 6.281 50 0 biogenic KKAARO CCCC[N@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)Cc1ccccc1 ZINC000020726987 553690663 /nfs/dbraw/zinc/69/06/63/553690663.db2.gz LLLCHGGJORVNLK-IADYIPOJSA-N 1 0 513.707 5.975 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727910 553690997 /nfs/dbraw/zinc/69/09/97/553690997.db2.gz BEPMNOXZHSQAHN-CSGQPYJXSA-N 1 0 531.644 5.669 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727874 553691006 /nfs/dbraw/zinc/69/10/06/553691006.db2.gz SLDQTDPSUJJGRW-PLRJNAJWSA-N 1 0 533.660 6.204 50 0 KKAARO C[N@H+](CCCN(Cc1cccn1C1CCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020734487 553693257 /nfs/dbraw/zinc/69/32/57/553693257.db2.gz YRLZVNRQVNALDS-UHFFFAOYSA-N 1 0 505.534 7.599 50 0 KKAARO COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000089630357 553694138 /nfs/dbraw/zinc/69/41/38/553694138.db2.gz OVDSPTSBIQCAIN-UHFFFAOYSA-N 1 0 529.025 5.404 50 0 in-vitro KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000020737548 553694691 /nfs/dbraw/zinc/69/46/91/553694691.db2.gz DOMBERQRDXDNHL-JBASAIQMSA-N 1 0 527.734 6.527 50 0 KKAARO [NH3+][C@H](c1ccccc1)[C@@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000095611363 553705589 /nfs/dbraw/zinc/70/55/89/553705589.db2.gz YHBAPPMVVCHAQC-LQFQNGICSA-N 1 0 507.617 9.597 50 0 KKAARO C[N@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000021162197 553708302 /nfs/dbraw/zinc/70/83/02/553708302.db2.gz WBXYGSVWCAXCFO-UHFFFAOYSA-N 1 0 505.682 5.211 50 0 KKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162394 553708661 /nfs/dbraw/zinc/70/86/61/553708661.db2.gz KSSDXBHYCAEREA-ZRZAMGCNSA-N 1 0 505.682 5.209 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000095721769 553710093 /nfs/dbraw/zinc/71/00/93/553710093.db2.gz TVHDODZRGVWAPS-JZUUQJBKSA-N 1 0 580.796 7.901 50 0 KKAARO O=C1N=CN(c2ccc(Cl)cc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000095918239 553715051 /nfs/dbraw/zinc/71/50/51/553715051.db2.gz BAOGCBJSWDFCDC-UHFFFAOYSA-N 1 0 509.000 6.056 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275494 553732544 /nfs/dbraw/zinc/73/25/44/553732544.db2.gz BPLVESQWOIMYKM-SUYBVONHSA-N 1 0 525.737 6.847 50 0 KKAARO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275530 553732556 /nfs/dbraw/zinc/73/25/56/553732556.db2.gz PGNJGTPMHZSYHS-MHZLTWQESA-N 1 0 502.058 6.358 50 0 KKAARO CCOc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096278986 553735730 /nfs/dbraw/zinc/73/57/30/553735730.db2.gz VBJIQEIHUKLRJU-SSEXGKCCSA-N 1 0 509.694 6.131 50 0 KKAARO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)Cc2ccccc2)cc1 ZINC000096279943 553736490 /nfs/dbraw/zinc/73/64/90/553736490.db2.gz OJKLPLJYFUEDJY-UHFFFAOYSA-N 1 0 530.072 5.073 50 0 KKAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4C(F)(F)F)CC3)nc2)cc1 ZINC000096281047 553737190 /nfs/dbraw/zinc/73/71/90/553737190.db2.gz IXQVZDUIGNXCBA-UHFFFAOYSA-N 1 0 510.604 6.363 50 0 KKAARO CCOc1cccc(-c2ccc3nc(-c4cccc(OC)c4)c(CCC(=O)NCC[NH+]4CCCC4)n3c2)c1 ZINC000096291299 553745110 /nfs/dbraw/zinc/74/51/10/553745110.db2.gz XQEFCIATUTUSSM-UHFFFAOYSA-N 1 0 512.654 5.220 50 0 KKAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(CC[NH+](C)C)C(=O)c2ccccc2Cl)cc1 ZINC000096294517 553747791 /nfs/dbraw/zinc/74/77/91/553747791.db2.gz ZNVGISQLMILFFI-UHFFFAOYSA-N 1 0 521.466 5.274 50 0 KKAARO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022873399 553766234 /nfs/dbraw/zinc/76/62/34/553766234.db2.gz VHVJBTKSEFANSC-UIOOFZCWSA-N 1 0 611.584 5.705 50 0 KKAARO Oc1ccccc1[C@H](CCN1CC[NH+](CC[C@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000022938395 553768155 /nfs/dbraw/zinc/76/81/55/553768155.db2.gz OWMUFVWZUGNZTR-LOYHVIPDSA-N 1 0 506.690 6.460 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000097944123 553768704 /nfs/dbraw/zinc/76/87/04/553768704.db2.gz ZZAHSUXXKPZJRM-NRFANRHFSA-N 1 0 577.748 6.156 50 0 KKAARO C[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000022947467 553768778 /nfs/dbraw/zinc/76/87/78/553768778.db2.gz NELFVCYPOVDLKP-XHLNEMQHSA-N 1 0 561.151 5.387 50 0 KKAARO CCOC(=O)CCCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023430275 553775666 /nfs/dbraw/zinc/77/56/66/553775666.db2.gz CVOPCMZXWMPKHZ-UHFFFAOYSA-N 1 0 530.591 5.223 50 0 KKAARO Brc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000097951557 553809650 /nfs/dbraw/zinc/80/96/50/553809650.db2.gz IHGJZNMYUSHNPN-LJAQVGFWSA-N 1 0 538.489 7.138 50 0 KKAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000097952637 553817395 /nfs/dbraw/zinc/81/73/95/553817395.db2.gz RRHZKBSJMFZBRD-SANMLTNESA-N 1 0 548.481 6.002 50 0 KKAARO COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000097952638 553817423 /nfs/dbraw/zinc/81/74/23/553817423.db2.gz RRHZKBSJMFZBRD-AREMUKBSSA-N 1 0 548.481 6.002 50 0 KKAARO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585627 553835427 /nfs/dbraw/zinc/83/54/27/553835427.db2.gz IFIXZLFIXKXHLO-UHFFFAOYSA-N 1 0 527.594 6.635 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097957489 553846274 /nfs/dbraw/zinc/84/62/74/553846274.db2.gz KWJQBJTVWLCZIT-UHFFFAOYSA-N 1 0 540.736 5.294 50 0 KKAARO CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000029749947 553853173 /nfs/dbraw/zinc/85/31/73/553853173.db2.gz HPWCLZWRVVXJJL-VEILYXNESA-N 1 0 581.569 6.045 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963600 553891971 /nfs/dbraw/zinc/89/19/71/553891971.db2.gz WTKQFFWWDMKMQY-HDICACEKSA-N 1 0 561.770 5.003 50 0 KKAARO CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1 ZINC000033354291 553929196 /nfs/dbraw/zinc/92/91/96/553929196.db2.gz XLZRLVQDDPECMS-DIPNUNPCSA-N 1 0 602.804 6.454 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000033355706 553936410 /nfs/dbraw/zinc/93/64/10/553936410.db2.gz LKQVHROZTSZOMJ-KFCPHXPSSA-N 1 0 595.582 5.311 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccccc2Cl)CC1 ZINC000033355774 553936997 /nfs/dbraw/zinc/93/69/97/553936997.db2.gz KMVIDYGWXWOJPA-UHFFFAOYSA-N 1 0 578.157 5.818 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)s2)cc1 ZINC000033356705 553943579 /nfs/dbraw/zinc/94/35/79/553943579.db2.gz XIEZPUNRDLAISL-UHFFFAOYSA-N 1 0 577.799 5.033 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033357245 553947501 /nfs/dbraw/zinc/94/75/01/553947501.db2.gz XAWWKJZIFXZXII-IOWSJCHKSA-N 1 0 543.683 5.698 50 0 KKAARO c1ccc(COC[C@@H]2[NH2+]C[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000097976201 553968458 /nfs/dbraw/zinc/96/84/58/553968458.db2.gz HHIIDKLQTCPFQA-HWFRFQLBSA-N 1 0 523.673 5.931 50 0 KKAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+](C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033724992 553970406 /nfs/dbraw/zinc/97/04/06/553970406.db2.gz QCUBHRHQAWVDBA-HHHXNRCGSA-N 1 0 503.618 5.046 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000033905917 553976332 /nfs/dbraw/zinc/97/63/32/553976332.db2.gz FTKWEAPMPISEDC-BSKIJULFSA-N 1 0 518.032 7.359 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671711 553982608 /nfs/dbraw/zinc/98/26/08/553982608.db2.gz UABWLVIVSKWJTJ-SAIUNTKASA-N 1 0 522.664 6.756 50 0 KKAARO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682826 553985536 /nfs/dbraw/zinc/98/55/36/553985536.db2.gz OFNPZDCKFGSZNF-UHFFFAOYSA-N 1 0 506.646 7.107 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](c2ccccc2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697684 553991250 /nfs/dbraw/zinc/99/12/50/553991250.db2.gz BFUDEVFTBRJZIS-KCWPFWIISA-N 1 0 511.563 5.523 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699124 553991769 /nfs/dbraw/zinc/99/17/69/553991769.db2.gz QBHQFXCSRWJHIQ-RPLLCQBOSA-N 1 0 513.579 6.254 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699151 553992274 /nfs/dbraw/zinc/99/22/74/553992274.db2.gz XSLRPMKHGXJIJI-SHQCIBLASA-N 1 0 504.612 6.991 50 0 KKAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000034729601 553996988 /nfs/dbraw/zinc/99/69/88/553996988.db2.gz YZMSTUAABXDHEU-UHFFFAOYSA-N 1 0 509.094 5.154 50 0 KKAARO CCOc1cc([C@@H]2[NH2+]C[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982275 554000612 /nfs/dbraw/zinc/00/06/12/554000612.db2.gz XABJVGMMVLQHNK-YDYNHKSESA-N 1 0 613.552 7.620 50 0 KKAARO CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)CC(C)C)cc1 ZINC000034829538 554011894 /nfs/dbraw/zinc/01/18/94/554011894.db2.gz HYBHEQZASWRYLM-UHFFFAOYSA-N 1 0 531.745 5.800 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000034829564 554011997 /nfs/dbraw/zinc/01/19/97/554011997.db2.gz QGYAZLQBDPONHA-UHFFFAOYSA-N 1 0 531.726 5.077 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830120 554014471 /nfs/dbraw/zinc/01/44/71/554014471.db2.gz MGLFGDLKKIEGCG-DLLPINGYSA-N 1 0 529.750 5.801 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830072 554014480 /nfs/dbraw/zinc/01/44/80/554014480.db2.gz JYPNYUVXDPUTTN-HHHXNRCGSA-N 1 0 508.087 5.114 50 0 KKAARO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830400 554015767 /nfs/dbraw/zinc/01/57/67/554015767.db2.gz LUQQPNLBSSZAGB-NEKDWFFYSA-N 1 0 501.696 5.076 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc4ccccc43)c(C)nn2-c2ccccc2)CC1 ZINC000034832220 554017967 /nfs/dbraw/zinc/01/79/67/554017967.db2.gz SCCDNJSULUQXAQ-UHFFFAOYSA-N 1 0 538.740 6.556 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000034834618 554018723 /nfs/dbraw/zinc/01/87/23/554018723.db2.gz QUBNNBUONZHOIE-UHFFFAOYSA-N 1 0 528.528 5.928 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)Cc1ccc(F)cc1 ZINC000034835348 554019675 /nfs/dbraw/zinc/01/96/75/554019675.db2.gz VGJBOBFNADTXJN-UHFFFAOYSA-N 1 0 537.699 5.471 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835445 554019898 /nfs/dbraw/zinc/01/98/98/554019898.db2.gz BWJJBRQCZNRCPC-UHFFFAOYSA-N 1 0 523.672 5.225 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1cccc(OC)c1 ZINC000034835452 554019916 /nfs/dbraw/zinc/01/99/16/554019916.db2.gz XMYWYWHMDPJKJO-UHFFFAOYSA-N 1 0 521.681 5.165 50 0 KKAARO COc1ccccc1N1CCN(C(=O)c2cc3oc(C[NH+]4CCC(C)CC4)cc3n2Cc2ccccc2)CC1 ZINC000034920065 554031333 /nfs/dbraw/zinc/03/13/33/554031333.db2.gz SKBVSPVKCCHYNJ-UHFFFAOYSA-N 1 0 526.681 5.486 50 0 KKAARO COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000034921894 554032000 /nfs/dbraw/zinc/03/20/00/554032000.db2.gz SKQVXBVPSYJMMC-UHFFFAOYSA-N 1 0 506.050 5.640 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397212 554047825 /nfs/dbraw/zinc/04/78/25/554047825.db2.gz VSVWDUIAFLTCFP-UHFFFAOYSA-N 1 0 521.431 5.112 50 0 KKAARO COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098000089 554048392 /nfs/dbraw/zinc/04/83/92/554048392.db2.gz JCGHTPUMEZYGQS-UHFFFAOYSA-N 1 0 563.727 6.750 50 0 KKAARO O=C(Nc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707377 554065230 /nfs/dbraw/zinc/06/52/30/554065230.db2.gz SRDNXDHQJBLGFM-UHFFFAOYSA-N 1 0 511.670 5.715 50 0 KKAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000035768864 554072126 /nfs/dbraw/zinc/07/21/26/554072126.db2.gz VAXWGXSHPQDZSQ-GDLZYMKVSA-N 1 0 511.666 5.441 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(C)cc2)o1 ZINC000035809327 554078014 /nfs/dbraw/zinc/07/80/14/554078014.db2.gz NHAJHBQADFYNTI-UHFFFAOYSA-N 1 0 501.671 5.096 50 0 KKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCCC3)c3cccc(Cl)c3)c3ccccc32)cc1 ZINC000035815834 554078688 /nfs/dbraw/zinc/07/86/88/554078688.db2.gz XEIQSCQBRWVLQI-GDLZYMKVSA-N 1 0 514.113 6.776 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842575 554080910 /nfs/dbraw/zinc/08/09/10/554080910.db2.gz IYXBNZXIMFGNHV-MUUNZHRXSA-N 1 0 521.746 5.535 50 0 KKAARO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842594 554081079 /nfs/dbraw/zinc/08/10/79/554081079.db2.gz WTHGOCHRDRLTCG-PMERELPUSA-N 1 0 549.800 6.028 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842593 554081193 /nfs/dbraw/zinc/08/11/93/554081193.db2.gz OWCCRSJRXLJGMQ-SSEXGKCCSA-N 1 0 505.747 6.012 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011785 554084126 /nfs/dbraw/zinc/08/41/26/554084126.db2.gz BRFUANJYZFBMTC-WJOKGBTCSA-N 1 0 553.732 5.003 50 0 KKAARO CCn1cc([C@@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872205 554086461 /nfs/dbraw/zinc/08/64/61/554086461.db2.gz VXQHRRFXLCMXGP-NEEKEDPPSA-N 1 0 525.737 7.602 50 0 KKAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N(C)Cc3ccccc3)o2)n1 ZINC000098015165 554096604 /nfs/dbraw/zinc/09/66/04/554096604.db2.gz WXIPAUIOGVMCCG-UHFFFAOYSA-N 1 0 557.720 5.103 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000035924711 554097384 /nfs/dbraw/zinc/09/73/84/554097384.db2.gz QXFRBRVOKCCXKH-UHFFFAOYSA-N 1 0 520.656 5.875 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000098019573 554113218 /nfs/dbraw/zinc/11/32/18/554113218.db2.gz ZTYKISDEKXNCLV-UHFFFAOYSA-N 1 0 576.565 6.660 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)cc2Cl)o1 ZINC000098019653 554113496 /nfs/dbraw/zinc/11/34/96/554113496.db2.gz AEFVXGOFHJYMGG-UHFFFAOYSA-N 1 0 542.507 5.704 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000098019705 554114075 /nfs/dbraw/zinc/11/40/75/554114075.db2.gz JFIZXTOGZUMPBY-UHFFFAOYSA-N 1 0 602.559 5.722 50 0 KKAARO CCCC[N@H+](CCCC(=O)OCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000098020064 554116126 /nfs/dbraw/zinc/11/61/26/554116126.db2.gz NCVYKMUGQGNNGD-UHFFFAOYSA-N 1 0 546.539 6.491 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000098021398 554118427 /nfs/dbraw/zinc/11/84/27/554118427.db2.gz YKFYHRMKBFWPNF-VCTRWQRLSA-N 1 0 551.775 7.919 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000098043739 554128609 /nfs/dbraw/zinc/12/86/09/554128609.db2.gz IFUTVBBIKMJMLR-JWQCQUIFSA-N 1 0 769.376 7.230 50 0 KKAARO O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048144 554159756 /nfs/dbraw/zinc/15/97/56/554159756.db2.gz FDKBURXQUBAXRF-ZRKBJOGQSA-N 1 0 736.960 9.304 50 0 KKAARO O[C@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048145 554159796 /nfs/dbraw/zinc/15/97/96/554159796.db2.gz FDKBURXQUBAXRF-COCZKOEFSA-N 1 0 736.960 9.304 50 0 KKAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)c3cccc(Br)c3)cs2)c1C ZINC000036114310 554178762 /nfs/dbraw/zinc/17/87/62/554178762.db2.gz QJKXVQXGLNKAPB-UHFFFAOYSA-N 1 0 502.478 5.305 50 0 KKAARO CCCC[NH+](CCCC)Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000100018167 554181579 /nfs/dbraw/zinc/18/15/79/554181579.db2.gz KNFNMYCGDVEPOY-UHFFFAOYSA-N 1 0 532.537 7.782 50 0 KKAARO COc1ccc(C(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)cc1 ZINC000036116611 554181934 /nfs/dbraw/zinc/18/19/34/554181934.db2.gz LCEOYFFMZHNCCW-UHFFFAOYSA-N 1 0 507.700 5.982 50 0 KKAARO O=C(c1cccs1)N(CC[NH+]1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124410 554196611 /nfs/dbraw/zinc/19/66/11/554196611.db2.gz ZSYHBADEMATWJI-UHFFFAOYSA-N 1 0 510.512 6.219 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)CCC[C@]21C ZINC000036157517 554198756 /nfs/dbraw/zinc/19/87/56/554198756.db2.gz AFNBJAYDGOHJLH-PUBSWHNPSA-N 1 0 500.727 6.744 50 0 KKAARO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167642 554200066 /nfs/dbraw/zinc/20/00/66/554200066.db2.gz OVAGYCCPIBGTDU-UHFFFAOYSA-N 1 0 507.577 6.271 50 0 KKAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036301650 554211491 /nfs/dbraw/zinc/21/14/91/554211491.db2.gz QIMXNGXATPZSKZ-CVDCTZTESA-N 1 0 502.055 5.633 50 0 KKAARO Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036301899 554212037 /nfs/dbraw/zinc/21/20/37/554212037.db2.gz RLQAOBIKYFYYJR-HHHXNRCGSA-N 1 0 502.058 6.442 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036303587 554213723 /nfs/dbraw/zinc/21/37/23/554213723.db2.gz XSYUWKVVUQOOHB-SANMLTNESA-N 1 0 502.058 6.442 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COc1ccccc1C)CC1CC1 ZINC000036304911 554214788 /nfs/dbraw/zinc/21/47/88/554214788.db2.gz FLDVMXRNQGQICX-MUUNZHRXSA-N 1 0 511.666 6.242 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305210 554215023 /nfs/dbraw/zinc/21/50/23/554215023.db2.gz VXMCGLDDECJFSE-AREMUKBSSA-N 1 0 502.058 6.348 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306854 554215741 /nfs/dbraw/zinc/21/57/41/554215741.db2.gz AHHOTCCTJRLSRD-DEOSSOPVSA-N 1 0 501.602 5.670 50 0 KKAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307310 554216204 /nfs/dbraw/zinc/21/62/04/554216204.db2.gz JESFAUWINSYGDE-AREMUKBSSA-N 1 0 515.629 5.979 50 0 KKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307548 554216220 /nfs/dbraw/zinc/21/62/20/554216220.db2.gz SSARQQZPHSUXDB-AREMUKBSSA-N 1 0 503.618 5.807 50 0 KKAARO CCCCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313979 554219365 /nfs/dbraw/zinc/21/93/65/554219365.db2.gz AYIYLRIOAIWQDC-RSXGOPAZSA-N 1 0 511.638 5.177 50 0 KKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000036341096 554220506 /nfs/dbraw/zinc/22/05/06/554220506.db2.gz ZVBQTKIZPAROQD-NDEPHWFRSA-N 1 0 506.477 6.626 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000036343473 554221835 /nfs/dbraw/zinc/22/18/35/554221835.db2.gz LOFWGFDCUDCCPC-LJAQVGFWSA-N 1 0 511.666 5.645 50 0 KKAARO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343458 554222012 /nfs/dbraw/zinc/22/20/12/554222012.db2.gz IZSWXFRHOKIQKS-WJOKGBTCSA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343938 554222288 /nfs/dbraw/zinc/22/22/88/554222288.db2.gz AUCYSILZISDWEZ-MUUNZHRXSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344469 554223075 /nfs/dbraw/zinc/22/30/75/554223075.db2.gz ZAOKQPIOESCFGY-WJOKGBTCSA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344485 554223423 /nfs/dbraw/zinc/22/34/23/554223423.db2.gz NMLIVVFSGBPTLA-GDLZYMKVSA-N 1 0 527.665 5.345 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036345939 554223642 /nfs/dbraw/zinc/22/36/42/554223642.db2.gz UWYYHCRJUNLKNW-LJAQVGFWSA-N 1 0 511.666 6.071 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345794 554223728 /nfs/dbraw/zinc/22/37/28/554223728.db2.gz IXKKBHVDOVLRCT-WJOKGBTCSA-N 1 0 525.693 5.953 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000037524400 554250349 /nfs/dbraw/zinc/25/03/49/554250349.db2.gz NUXSDKUBJGTUSZ-XRKRLSELSA-N 1 0 508.628 7.028 50 0 KKAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000038139112 554259019 /nfs/dbraw/zinc/25/90/19/554259019.db2.gz DYXQUXUYYYUXNO-UHFFFAOYSA-N 1 0 593.613 5.611 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2ccc(F)cc2s1 ZINC000038139150 554259337 /nfs/dbraw/zinc/25/93/37/554259337.db2.gz WFHXHOGBJURFIT-UHFFFAOYSA-N 1 0 552.697 5.175 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)C1=CC=CC1=CC(=CC=CC2=[N+](C)C3=C(c4ccccc4CC3)C2(C)C)CC(C)(C)C1 ZINC000100265584 554266622 /nfs/dbraw/zinc/26/66/22/554266622.db2.gz VZRDACCSXIRCLK-UHFFFAOYSA-N 1 0 605.890 10.844 50 0 KKAARO CCOC(=O)c1ccc2c(c1)n(CC)c(C=CC=CC=CC=C1N(c3ccccc3)c3ccccc3C1(C)C)[n+]2-c1ccccc1 ZINC000100265633 554266661 /nfs/dbraw/zinc/26/66/61/554266661.db2.gz BRQHXHBIAVUHRE-UHFFFAOYSA-N 1 0 606.790 9.254 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150039 554271218 /nfs/dbraw/zinc/27/12/18/554271218.db2.gz DAHYKHKOXKQRNL-XQUOZVEWSA-N 1 0 536.097 5.271 50 0 KKAARO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000043883935 554300370 /nfs/dbraw/zinc/30/03/70/554300370.db2.gz OOABJYJUKFWDEH-QFQXNSOFSA-N 1 0 528.093 5.481 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)CC(C)C ZINC000053371804 554348147 /nfs/dbraw/zinc/34/81/47/554348147.db2.gz PTFRJGLKGAZHQW-RRHRGVEJSA-N 1 0 580.194 6.401 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371821 554348160 /nfs/dbraw/zinc/34/81/60/554348160.db2.gz DKGDGKXWDACQSD-QNGWXLTQSA-N 1 0 538.113 5.519 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000057222993 554353025 /nfs/dbraw/zinc/35/30/25/554353025.db2.gz UOZNGUTXLRMLPJ-UHFFFAOYSA-N 1 0 522.045 5.165 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 ZINC000057222910 554353079 /nfs/dbraw/zinc/35/30/79/554353079.db2.gz MGQRHYZPAINSQS-UHFFFAOYSA-N 1 0 522.443 5.200 50 0 KKAARO Cc1cc(C)c(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2=O)c(C)c1 ZINC000100852623 554492794 /nfs/dbraw/zinc/49/27/94/554492794.db2.gz HCNWKWWJCRCJHB-UHFFFAOYSA-N 1 0 600.763 5.579 50 0 KKAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc21 ZINC000060209969 554503776 /nfs/dbraw/zinc/50/37/76/554503776.db2.gz VFUOAJNBAZACSL-UHFFFAOYSA-N 1 0 578.760 5.435 50 0 KKAARO CCCCOc1ccc([C@](O)(CCCC)[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515016 554509768 /nfs/dbraw/zinc/50/97/68/554509768.db2.gz KEVZOGUKXGKGJX-JHOUSYSJSA-N 1 0 518.717 6.988 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997819 554538047 /nfs/dbraw/zinc/53/80/47/554538047.db2.gz VXASWNCNDAMJFB-FTJBHMTQSA-N 1 0 636.023 6.902 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000100954091 554538411 /nfs/dbraw/zinc/53/84/11/554538411.db2.gz UIPGYHGLNQKDCY-BSKIJULFSA-N 1 0 534.487 7.874 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064460 554571694 /nfs/dbraw/zinc/57/16/94/554571694.db2.gz DSFLXWSYLKLABO-SMVSGJMUSA-N 1 0 556.460 5.081 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1cccc(Br)c1 ZINC000101099030 554585974 /nfs/dbraw/zinc/58/59/74/554585974.db2.gz BJHAKZLQWWHQME-UHFFFAOYSA-N 1 0 567.572 5.329 50 0 KKAARO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000101160855 554659827 /nfs/dbraw/zinc/65/98/27/554659827.db2.gz GSNHKUDZZFZSJB-QUMGSSFMSA-N 1 0 513.677 5.951 50 0 world KKAARO CC1(C)O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]([NH2+]Cc3ccccc3)[C@H]2O1 ZINC000101173129 554662275 /nfs/dbraw/zinc/66/22/75/554662275.db2.gz QUEDKPPKOLPPSC-SEVDZJIVSA-N 1 0 521.657 6.030 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000101192234 554670726 /nfs/dbraw/zinc/67/07/26/554670726.db2.gz UNSLLAHCOQRCMB-QFIPXVFZSA-N 1 0 557.330 5.811 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)Cn3nc(C(F)(F)F)cc3C)ccc2[nH+]c2c1CCCC2 ZINC000101193443 554671395 /nfs/dbraw/zinc/67/13/95/554671395.db2.gz GZQAIEIMLLBUDT-UHFFFAOYSA-N 1 0 509.532 6.028 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4cncc(Br)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000101193508 554671540 /nfs/dbraw/zinc/67/15/40/554671540.db2.gz UQEAISMFVQRPMD-UHFFFAOYSA-N 1 0 533.426 6.284 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254820 554695542 /nfs/dbraw/zinc/69/55/42/554695542.db2.gz WRWGMUDWADOOMG-JGCGQSQUSA-N 1 0 629.827 5.023 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254827 554695590 /nfs/dbraw/zinc/69/55/90/554695590.db2.gz XQKFTIUPMXIKGB-WJOKGBTCSA-N 1 0 634.246 5.668 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254877 554695794 /nfs/dbraw/zinc/69/57/94/554695794.db2.gz YGRXXCIXRXTHJM-NDEPHWFRSA-N 1 0 610.611 5.532 50 0 KKAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254857 554695869 /nfs/dbraw/zinc/69/58/69/554695869.db2.gz YXGIZWNUKSPTMN-LJAQVGFWSA-N 1 0 590.193 5.187 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255159 554696441 /nfs/dbraw/zinc/69/64/41/554696441.db2.gz SZYWYLIXTSSIGU-NDEPHWFRSA-N 1 0 594.156 5.018 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352076 554738466 /nfs/dbraw/zinc/73/84/66/554738466.db2.gz QPMUFZKJDCOFFJ-NOCHOARKSA-N 1 0 581.757 5.658 50 0 KKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)ccc2Sc2ccccc21 ZINC000101371062 554744370 /nfs/dbraw/zinc/74/43/70/554744370.db2.gz FYAXMFVIQAXVGF-UHFFFAOYSA-N 1 0 547.168 6.976 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386107 554750970 /nfs/dbraw/zinc/75/09/70/554750970.db2.gz ABUUUEDBHBZQHV-ZQAZVOLISA-N 1 0 594.800 7.256 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)cc1 ZINC000101386155 554751159 /nfs/dbraw/zinc/75/11/59/554751159.db2.gz IGWFBYWUICWPQV-FREGXXQWSA-N 1 0 542.724 5.709 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386171 554751247 /nfs/dbraw/zinc/75/12/47/554751247.db2.gz GJRJSGAKIAPDFN-MYVCOICNSA-N 1 0 623.798 6.150 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386129 554751272 /nfs/dbraw/zinc/75/12/72/554751272.db2.gz KURRTRAUUXOBQV-ZQAZVOLISA-N 1 0 597.804 5.537 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386174 554751295 /nfs/dbraw/zinc/75/12/95/554751295.db2.gz IRTMCEUDIVAEBN-NHZFLZHXSA-N 1 0 606.815 6.199 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386211 554751419 /nfs/dbraw/zinc/75/14/19/554751419.db2.gz XPSUQOOIMPKGHI-ZBWWXOROSA-N 1 0 610.774 6.886 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386195 554751516 /nfs/dbraw/zinc/75/15/16/554751516.db2.gz LINHNLOWQAVSJX-JADSYQMUSA-N 1 0 640.800 6.894 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386237 554751521 /nfs/dbraw/zinc/75/15/21/554751521.db2.gz XVKPUBUOGCGNQE-ZJJOJAIXSA-N 1 0 605.827 6.804 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406827 554761995 /nfs/dbraw/zinc/76/19/95/554761995.db2.gz SYNRQYRZKMBATH-LJQANCHMSA-N 1 0 538.088 6.395 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)c12 ZINC000101419058 554766732 /nfs/dbraw/zinc/76/67/32/554766732.db2.gz GRCFWTKEEKMNKW-UHFFFAOYSA-N 1 0 545.131 5.260 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101426252 554768717 /nfs/dbraw/zinc/76/87/17/554768717.db2.gz GGAFUZOFPMKYJW-PPFNPFNJSA-N 1 0 557.694 6.140 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456076 554777190 /nfs/dbraw/zinc/77/71/90/554777190.db2.gz WWHUKFHSIJCLCC-UHFFFAOYSA-N 1 0 575.775 5.722 50 0 KKAARO CCOc1ccc(-c2cc3nc(C4CC[NH2+]CC4)c(C(=O)Nc4c(Cl)cc(OC)cc4OC)cn3n2)cc1 ZINC000101481253 554784202 /nfs/dbraw/zinc/78/42/02/554784202.db2.gz LXOZZJWIOSVSOG-UHFFFAOYSA-N 1 0 536.032 5.185 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492981 554786332 /nfs/dbraw/zinc/78/63/32/554786332.db2.gz UIYNMPKNVMFBPZ-YYTYUTFWSA-N 1 0 594.778 5.536 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)C2=O)c1 ZINC000101506291 554789869 /nfs/dbraw/zinc/78/98/69/554789869.db2.gz CPMQSGBGSSIZNB-VAMRJTSQSA-N 1 0 539.745 6.589 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101507048 554791055 /nfs/dbraw/zinc/79/10/55/554791055.db2.gz HXCIJUUYCMFXHF-IQURXNKESA-N 1 0 567.799 7.368 50 0 KKAARO CC[NH+]1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507227 554791160 /nfs/dbraw/zinc/79/11/60/554791160.db2.gz MMACXFBWMCFRAK-DFKUXCBWSA-N 1 0 554.760 5.351 50 0 KKAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507749 554791529 /nfs/dbraw/zinc/79/15/29/554791529.db2.gz RMKGLNJXVRSZBN-IWBSIUBASA-N 1 0 582.814 6.131 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101618201 554806664 /nfs/dbraw/zinc/80/66/64/554806664.db2.gz PKYUEYFDSJUJFQ-IHLOFXLRSA-N 1 0 560.764 5.022 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618512 554806712 /nfs/dbraw/zinc/80/67/12/554806712.db2.gz ZMIGMFWBUIHALR-FIRIVFDPSA-N 1 0 556.776 5.296 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000101622205 554809851 /nfs/dbraw/zinc/80/98/51/554809851.db2.gz FDWSFXRBELXTDB-MUQQHEDISA-N 1 0 625.608 5.320 50 0 KKAARO COc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(CN5CCN(Cc6cccnc6)CC5)c4)CC3)o2)cc1 ZINC000101624442 554810957 /nfs/dbraw/zinc/81/09/57/554810957.db2.gz RHQIJRLPJDOWLL-UHFFFAOYSA-N 1 0 566.702 5.352 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1Br ZINC000101634445 554812603 /nfs/dbraw/zinc/81/26/03/554812603.db2.gz TUQKECMBHOQBBQ-DCBYITAQSA-N 1 0 572.569 5.422 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101636578 554813115 /nfs/dbraw/zinc/81/31/15/554813115.db2.gz IGYJOIXGZRSKFW-XHLNEMQHSA-N 1 0 546.136 6.626 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636833 554813206 /nfs/dbraw/zinc/81/32/06/554813206.db2.gz XTFLTUMEXSLHAE-KDXMTYKHSA-N 1 0 566.167 6.299 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637717 554813909 /nfs/dbraw/zinc/81/39/09/554813909.db2.gz VPBWISGIZKKCAQ-KVQDIILNSA-N 1 0 637.249 6.958 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101687868 554829975 /nfs/dbraw/zinc/82/99/75/554829975.db2.gz LWAOIVJRFILMDR-ANYBSYGZSA-N 1 0 579.688 6.256 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1 ZINC000101689355 554830398 /nfs/dbraw/zinc/83/03/98/554830398.db2.gz DCYNDXMKEYQWCS-UHFFFAOYSA-N 1 0 576.807 6.208 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101979350 554863575 /nfs/dbraw/zinc/86/35/75/554863575.db2.gz YDXLFGZOYLHKAQ-IOWSJCHKSA-N 1 0 541.761 6.308 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979722 554863698 /nfs/dbraw/zinc/86/36/98/554863698.db2.gz DMQULUAMPQQQQA-LOYHVIPDSA-N 1 0 542.749 5.300 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000101991146 554863896 /nfs/dbraw/zinc/86/38/96/554863896.db2.gz URMPANRMSSDWFV-WPHQEQLXSA-N 1 0 595.582 5.311 50 0 KKAARO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084814 554876264 /nfs/dbraw/zinc/87/62/64/554876264.db2.gz XIBFRZPSRGGJAP-SANMLTNESA-N 1 0 530.049 6.608 50 0 KKAARO Cc1c(Cl)cccc1NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000102103494 554882013 /nfs/dbraw/zinc/88/20/13/554882013.db2.gz CNGBIYXRTQZJOZ-UHFFFAOYSA-N 1 0 573.678 8.355 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)CC(C)C ZINC000102103597 554882436 /nfs/dbraw/zinc/88/24/36/554882436.db2.gz CNZMUXWIWRYJQS-UZWMFBFFSA-N 1 0 590.233 7.754 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135968 554887768 /nfs/dbraw/zinc/88/77/68/554887768.db2.gz JACUDBMFMXBBPT-BWKNWUBXSA-N 1 0 559.579 5.670 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cc(C)cc(C)c3)C2)cc1OC ZINC000102139115 554888067 /nfs/dbraw/zinc/88/80/67/554888067.db2.gz ZUNTYVDMXDMDMS-URLMMPGGSA-N 1 0 555.719 5.203 50 0 KKAARO CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CC[NH+](CCCNC(=O)/C=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000102190767 554894077 /nfs/dbraw/zinc/89/40/77/554894077.db2.gz JIHQDDPOJWHYJV-LRVMPXQBSA-N 1 0 572.838 5.638 50 0 KKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102231255 554900168 /nfs/dbraw/zinc/90/01/68/554900168.db2.gz HOJOIDZRPNIDCC-HKBQPEDESA-N 1 0 561.553 6.868 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(Br)cc1)=N2 ZINC000102244043 554903252 /nfs/dbraw/zinc/90/32/52/554903252.db2.gz ZVSHTVFEPHOSKK-UHFFFAOYSA-N 1 0 533.923 5.796 50 0 KKAARO C[C@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102334985 554912626 /nfs/dbraw/zinc/91/26/26/554912626.db2.gz DMRLTVROGJDPFV-HSZRJFAPSA-N 1 0 594.703 6.750 50 0 KKAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc1OC ZINC000102339956 554913145 /nfs/dbraw/zinc/91/31/45/554913145.db2.gz DVSDHOLUBSYKLH-HXUWFJFHSA-N 1 0 567.608 5.272 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)CC1 ZINC000102399567 554919427 /nfs/dbraw/zinc/91/94/27/554919427.db2.gz HAJNTHXQEZFDJV-QFIPXVFZSA-N 1 0 584.035 5.794 50 0 KKAARO COc1ccccc1CNC(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000102411531 554923565 /nfs/dbraw/zinc/92/35/65/554923565.db2.gz WUZRVMUMMRJQOA-BHBYDHKZSA-N 1 0 579.160 5.597 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102417022 554925045 /nfs/dbraw/zinc/92/50/45/554925045.db2.gz LAGWILGKHSASBR-IZZNHLLZSA-N 1 0 539.607 5.101 50 0 KKAARO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(F)c(F)c1 ZINC000102427460 554926273 /nfs/dbraw/zinc/92/62/73/554926273.db2.gz PRDCGFREYPOEBW-MUAVYFROSA-N 1 0 571.087 6.189 50 0 KKAARO O=C(NCc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000102468707 554936185 /nfs/dbraw/zinc/93/61/85/554936185.db2.gz ALXLCZVDHWGUQZ-UHFFFAOYSA-N 1 0 541.536 5.357 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000102589344 554973807 /nfs/dbraw/zinc/97/38/07/554973807.db2.gz RHIUUHJTFQMRIA-UHFFFAOYSA-N 1 0 538.635 7.236 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629353 554988988 /nfs/dbraw/zinc/98/89/88/554988988.db2.gz XCPRQOIAEBAVPK-AYHHAJBCSA-N 1 0 586.555 7.208 50 0 KKAARO O=C(COc1ccc(-c2ccsc2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000102707534 555015627 /nfs/dbraw/zinc/01/56/27/555015627.db2.gz YNHHGSQNLDFJPP-NDEPHWFRSA-N 1 0 555.700 5.072 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)C1 ZINC000102719634 555019602 /nfs/dbraw/zinc/01/96/02/555019602.db2.gz VFDAXEAIYIKFRI-VHEBRAQUSA-N 1 0 542.543 5.413 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000102741730 555030424 /nfs/dbraw/zinc/03/04/24/555030424.db2.gz WJSWBAAIZCPRDY-UHFFFAOYSA-N 1 0 547.128 5.500 50 0 KKAARO CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102761421 555052703 /nfs/dbraw/zinc/05/27/03/555052703.db2.gz VPHPLBLPSHSMEZ-MHZLTWQESA-N 1 0 534.682 5.073 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1Br ZINC000102768350 555056172 /nfs/dbraw/zinc/05/61/72/555056172.db2.gz ZHXXYVQRUSTDBY-DUYBAWCLSA-N 1 0 558.542 5.176 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102769741 555057163 /nfs/dbraw/zinc/05/71/63/555057163.db2.gz RMDHXCHLEBJORH-JDCMOKTRSA-N 1 0 549.646 6.044 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000102771919 555060877 /nfs/dbraw/zinc/06/08/77/555060877.db2.gz FHNCMPDGTAWJLO-UHFFFAOYSA-N 1 0 574.725 7.012 50 0 biogenic KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccc(OC)c(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772187 555061253 /nfs/dbraw/zinc/06/12/53/555061253.db2.gz YILOCPJTZDZJKB-UHFFFAOYSA-N 1 0 545.676 6.256 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102780002 555065439 /nfs/dbraw/zinc/06/54/39/555065439.db2.gz QZXHQVBAVPERFX-FEZSWGLMSA-N 1 0 555.788 7.307 50 0 KKAARO CCC[NH+]1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000102780179 555065708 /nfs/dbraw/zinc/06/57/08/555065708.db2.gz FSNPYLBOBDFPBC-VFCFBJKWSA-N 1 0 532.109 6.188 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790101 555068803 /nfs/dbraw/zinc/06/88/03/555068803.db2.gz HKKROTLPSUHRJI-RUZDIDTESA-N 1 0 563.768 5.102 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3ccc(Cl)cc3Cl)c(C)nn2-c2ccccc2)CC1 ZINC000102832682 555079296 /nfs/dbraw/zinc/07/92/96/555079296.db2.gz UOQOHJJTQHBPKE-UHFFFAOYSA-N 1 0 544.527 5.308 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000102959445 555174945 /nfs/dbraw/zinc/17/49/45/555174945.db2.gz HXIRTLAUDUXTCD-UHFFFAOYSA-N 1 0 552.018 5.554 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000102997873 555197215 /nfs/dbraw/zinc/19/72/15/555197215.db2.gz BBZAXALXEOLLTC-UHFFFAOYSA-N 1 0 524.879 7.256 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024408 555214822 /nfs/dbraw/zinc/21/48/22/555214822.db2.gz SSTHNIBFCWPQMB-UHFFFAOYSA-N 1 0 560.545 6.463 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000103025345 555215477 /nfs/dbraw/zinc/21/54/77/555215477.db2.gz QWYLFXQOTBUBNI-UHFFFAOYSA-N 1 0 545.625 5.920 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000103025208 555215511 /nfs/dbraw/zinc/21/55/11/555215511.db2.gz NITFVAQWVPGBRA-UHFFFAOYSA-N 1 0 574.572 6.709 50 0 KKAARO Cc1ccc(NC(=O)N(CC[NH+]2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(C(C)C)cc2)cc1 ZINC000103035171 555222616 /nfs/dbraw/zinc/22/26/16/555222616.db2.gz AHTCDWJLLAQSDK-SSEXGKCCSA-N 1 0 574.791 6.315 50 0 KKAARO O=C(CN(Cc1cccc(Cl)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000103086376 555265196 /nfs/dbraw/zinc/26/51/96/555265196.db2.gz XMKUMGFFUFXHRX-UHFFFAOYSA-N 1 0 540.922 7.364 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103123068 555291640 /nfs/dbraw/zinc/29/16/40/555291640.db2.gz GSFVNNWWCSFKHF-NEEKEDPPSA-N 1 0 552.656 7.844 50 0 KKAARO Cc1ccc(CO[C@@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103124924 555292902 /nfs/dbraw/zinc/29/29/02/555292902.db2.gz UOYWHCFPOXRJSX-FATKCUQPSA-N 1 0 590.683 5.381 50 0 KKAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103129927 555298693 /nfs/dbraw/zinc/29/86/93/555298693.db2.gz ZRZZJVAOTLZBAC-DLMLISOQSA-N 1 0 536.031 5.423 50 0 KKAARO CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)cc1 ZINC000103133016 555302732 /nfs/dbraw/zinc/30/27/32/555302732.db2.gz OKGKGHALZSFJNE-UHFFFAOYSA-N 1 0 547.744 5.180 50 0 KKAARO CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000103160328 555320696 /nfs/dbraw/zinc/32/06/96/555320696.db2.gz BOMNQJSOZCTGRF-GDLZYMKVSA-N 1 0 547.671 5.344 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](CCc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000103235073 555342372 /nfs/dbraw/zinc/34/23/72/555342372.db2.gz CHEQNKJSFPHLPZ-UHFFFAOYSA-N 1 0 528.035 5.222 50 0 KKAARO O=C(c1cccnc1Cl)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000103301594 555355742 /nfs/dbraw/zinc/35/57/42/555355742.db2.gz UCRAIYNHBOWGOB-BWKNWUBXSA-N 1 0 529.006 5.432 50 0 KKAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000103355151 555363953 /nfs/dbraw/zinc/36/39/53/555363953.db2.gz WAIGUKDIRPFYEY-PMERELPUSA-N 1 0 543.683 5.970 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363199 555365252 /nfs/dbraw/zinc/36/52/52/555365252.db2.gz HSCHHAAYXUKTPQ-WINIVTDRSA-N 1 0 574.644 6.008 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000103365486 555365868 /nfs/dbraw/zinc/36/58/68/555365868.db2.gz JIRLNUDAXPQGRY-DEJVGURISA-N 1 0 612.636 5.350 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103405417 555391814 /nfs/dbraw/zinc/39/18/14/555391814.db2.gz SAVSFDPMZIGHSU-XTEPFMGCSA-N 1 0 515.455 5.105 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccc(Cl)cc2)c1)NCC[NH+]1CCCC1 ZINC000103417010 555397840 /nfs/dbraw/zinc/39/78/40/555397840.db2.gz HBCNOHKTEJPQML-XIFFEERXSA-N 1 0 596.146 8.008 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc(OC)c(OCc2ccccc2)c1 ZINC000103419649 555400149 /nfs/dbraw/zinc/40/01/49/555400149.db2.gz CBZIPGIKDQRHCM-YZNIXAGQSA-N 1 0 555.763 6.915 50 0 KKAARO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103421075 555401687 /nfs/dbraw/zinc/40/16/87/555401687.db2.gz XNZPHEWWAYWEOK-PGUFJCEWSA-N 1 0 587.764 7.011 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1)NCC[NH+]1CCCC1 ZINC000103427964 555410052 /nfs/dbraw/zinc/41/00/52/555410052.db2.gz WSIVYFJJHYTKNP-UUWRZZSWSA-N 1 0 557.738 7.003 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000103532802 555433210 /nfs/dbraw/zinc/43/32/10/555433210.db2.gz VUXCVIFVOBXIQC-PTRUDAKASA-N 1 0 552.845 5.661 50 0 KKAARO c1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)[n+](-c5ccccc5)c(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000103563058 555449767 /nfs/dbraw/zinc/44/97/67/555449767.db2.gz DMMMWNHDZBDUQI-USYZEHPZSA-N 1 0 604.777 10.320 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000103578560 555451296 /nfs/dbraw/zinc/45/12/96/555451296.db2.gz SKPOOLAPFIGVPI-XJFCNFDWSA-N 1 0 593.765 5.769 50 0 KKAARO c1ccc(-c2ccc([C@@H](c3ccccc3)N3CC[NH+]([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625586 555457349 /nfs/dbraw/zinc/45/73/49/555457349.db2.gz GPNHYCAEFDGVBC-ZRKBJOGQSA-N 1 0 570.780 9.517 50 0 KKAARO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000059029686 562701597 /nfs/dbraw/zinc/70/15/97/562701597.db2.gz QDWKGEFGLQMDAM-ULJHMMPZSA-N 1 0 539.705 5.986 50 0 in-man KKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000103893521 562825059 /nfs/dbraw/zinc/82/50/59/562825059.db2.gz DAHYKHKOXKQRNL-LGIDBQEGSA-N 1 0 536.097 5.271 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169293631 562852106 /nfs/dbraw/zinc/85/21/06/562852106.db2.gz JVAQZMVDSSVXGG-ZHQHWHAXSA-N 1 0 564.151 6.052 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252009467 562881681 /nfs/dbraw/zinc/88/16/81/562881681.db2.gz QYQDPBFSISDNBS-RJNBBFARSA-N 1 0 527.624 5.417 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103287995 571361550 /nfs/dbraw/zinc/36/15/50/571361550.db2.gz XOKGYGURRAUQBS-HATVSKDLSA-N 1 0 589.091 7.111 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103527992 571361736 /nfs/dbraw/zinc/36/17/36/571361736.db2.gz DEEGGLHMMXTTDS-CYPQMOBWSA-N 1 0 584.672 6.464 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000103529011 571361756 /nfs/dbraw/zinc/36/17/56/571361756.db2.gz SUJODGZTLOJDDP-KHLUAOTOSA-N 1 0 557.606 5.081 50 0 KKAARO COCCC[NH+]1C2=C(CC/C2=C\c2ccc(OC)cc2)C(c2ccc(OC)cc2)C2=C1/C(=C/c1ccc(OC)cc1)CC2 ZINC000104022278 571371330 /nfs/dbraw/zinc/37/13/30/571371330.db2.gz RMUIRMCQRPNAHK-HJBHGHCOSA-N 1 0 575.749 8.411 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000104147876 571375392 /nfs/dbraw/zinc/37/53/92/571375392.db2.gz JSXFFODNDGTNRL-RDXDNIQESA-N 1 0 574.766 5.336 50 0 KKAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000105004234 571389090 /nfs/dbraw/zinc/38/90/90/571389090.db2.gz XTIWKHOZTQKLTP-XTEPFMGCSA-N 1 0 536.738 5.159 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000105023104 571389432 /nfs/dbraw/zinc/38/94/32/571389432.db2.gz JGCONOBZURGCRR-QNLPTKCRSA-N 1 0 508.637 6.366 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000105041363 571390195 /nfs/dbraw/zinc/39/01/95/571390195.db2.gz ZXOFJOFVHPIAAQ-SVEHJYQDSA-N 1 0 504.646 5.857 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042759 571390320 /nfs/dbraw/zinc/39/03/20/571390320.db2.gz YIPQTEYEQKRBKX-SQHAQQRYSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105060672 571390656 /nfs/dbraw/zinc/39/06/56/571390656.db2.gz PQDBPBCIWVBSMH-IADCTJSHSA-N 1 0 501.696 5.076 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000105060481 571390791 /nfs/dbraw/zinc/39/07/91/571390791.db2.gz MFGSFJQYWNQDQK-XHCCPWGMSA-N 1 0 574.644 6.008 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000105061433 571391011 /nfs/dbraw/zinc/39/10/11/571391011.db2.gz MUWRZPPTJKTLKH-YKGWIAGDSA-N 1 0 547.740 5.895 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000105061922 571391089 /nfs/dbraw/zinc/39/10/89/571391089.db2.gz KIKISGOANDWTGW-XHCCPWGMSA-N 1 0 541.092 5.643 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000105061794 571391106 /nfs/dbraw/zinc/39/11/06/571391106.db2.gz LUEMCUCYSZVCBV-ZBLYBZFDSA-N 1 0 522.114 5.421 50 0 KKAARO CC[C@H](C)OC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105886692 571409207 /nfs/dbraw/zinc/40/92/07/571409207.db2.gz RZJZGAADPCCXEV-NRFANRHFSA-N 1 0 608.623 8.219 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450701 571425293 /nfs/dbraw/zinc/42/52/93/571425293.db2.gz UAMZSKCSECWTQJ-MHZLTWQESA-N 1 0 636.834 5.261 50 0 biogenic KKAARO O=C1c2ccccc2[C@H]([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000110565217 571431623 /nfs/dbraw/zinc/43/16/23/571431623.db2.gz DQPCOOIKAATCSW-NWSMARCJSA-N 1 0 562.025 6.297 50 0 KKAARO O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000137044637 571450043 /nfs/dbraw/zinc/45/00/43/571450043.db2.gz KZKALOHEEHRXFT-UHFFFAOYSA-N 1 0 567.557 6.428 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344815 571459492 /nfs/dbraw/zinc/45/94/92/571459492.db2.gz JLVIBXZXLSSJGK-UIOOFZCWSA-N 1 0 848.272 7.992 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389203 571471651 /nfs/dbraw/zinc/47/16/51/571471651.db2.gz FBXKFTBPTOKLGI-LFIBNONCSA-N 1 0 665.749 9.271 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414311 571484985 /nfs/dbraw/zinc/48/49/85/571484985.db2.gz CNBMWNUQNYTYSN-JGCGQSQUSA-N 1 0 647.817 5.556 50 0 KKAARO CCOc1ccc([C@@H]2C(=O)C(C(c3ccc(OC)c(CN4CCCCC4)c3)C3C(=O)NC(=S)[C@H](c4ccc(OCC)cc4)C3=O)C(=O)NC2=S)cc1 ZINC000150648315 571525322 /nfs/dbraw/zinc/52/53/22/571525322.db2.gz ZGNZALCUWSMZMO-ROJLCIKYSA-N 1 0 741.932 7.491 50 0 KKAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000169677643 571555186 /nfs/dbraw/zinc/55/51/86/571555186.db2.gz ITTIUHJZQPCGAB-LMSSTIIKSA-N 1 0 506.687 5.493 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169679939 571556717 /nfs/dbraw/zinc/55/67/17/571556717.db2.gz QJCSLMJOOZUZDU-LITSAYRRSA-N 1 0 526.618 7.167 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680884 571557165 /nfs/dbraw/zinc/55/71/65/571557165.db2.gz CTPFBMUCGTVGCK-JHOBJCJYSA-N 1 0 507.744 5.424 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)OC1(CCCCC1)CC3 ZINC000170613373 571561792 /nfs/dbraw/zinc/56/17/92/571561792.db2.gz YCIUCRDWESOBAM-OZXSUGGESA-N 1 0 506.687 5.443 50 0 KKAARO Cc1cccc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1 ZINC000170614219 571561933 /nfs/dbraw/zinc/56/19/33/571561933.db2.gz YFAWIZAGOUMOFN-SSEXGKCCSA-N 1 0 518.064 7.680 50 0 KKAARO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc1C[C@H]3N(C)CC2 ZINC000195484573 571563107 /nfs/dbraw/zinc/56/31/07/571563107.db2.gz DRACRVAKPKYPSB-URLMMPGGSA-N 1 0 682.814 6.760 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263584807 572115521 /nfs/dbraw/zinc/11/55/21/572115521.db2.gz AZACBXDAFYBSRH-VTRIWSNPSA-N 1 0 648.845 5.216 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000299781287 572136092 /nfs/dbraw/zinc/13/60/92/572136092.db2.gz DLYMUKKPBAMFBY-BHBYDHKZSA-N 1 0 561.170 6.089 50 0 KKAARO COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@H]21 ZINC000229932175 572170847 /nfs/dbraw/zinc/17/08/47/572170847.db2.gz XZLDJIMNFYMIEX-MZKUHISZSA-N 1 0 536.411 5.702 50 0 KKAARO CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229999963 572177880 /nfs/dbraw/zinc/17/78/80/572177880.db2.gz UTDMCMGYNGMKFO-NAPKFFDZSA-N 1 0 566.701 7.401 50 0 KKAARO C[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077241 572182574 /nfs/dbraw/zinc/18/25/74/572182574.db2.gz QEURWTABXZDXKQ-IZLXSDGUSA-N 1 0 501.696 5.610 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077511 572182852 /nfs/dbraw/zinc/18/28/52/572182852.db2.gz WFEMJSZDVAMTCD-NSOVKSMOSA-N 1 0 519.711 5.983 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228513 572205390 /nfs/dbraw/zinc/20/53/90/572205390.db2.gz FJAIBEYEPBUOIH-ZGOJTZKKSA-N 1 0 521.727 6.085 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228616 572205407 /nfs/dbraw/zinc/20/54/07/572205407.db2.gz ZMIQZIMIKPRVMV-GJDOKZOISA-N 1 0 533.738 6.371 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279149 572224052 /nfs/dbraw/zinc/22/40/52/572224052.db2.gz FJVGAVQSDAUGSC-ILBGXUMGSA-N 1 0 511.638 5.176 50 0 KKAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281241 572224603 /nfs/dbraw/zinc/22/46/03/572224603.db2.gz WPDHQPMIUOUXAW-AOYPEHQESA-N 1 0 511.638 5.033 50 0 KKAARO COc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343225 572237621 /nfs/dbraw/zinc/23/76/21/572237621.db2.gz IUSLYDADBBCUFE-VEQLFVSISA-N 1 0 567.085 6.328 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343314 572238274 /nfs/dbraw/zinc/23/82/74/572238274.db2.gz LRLFKNQGLFKLBZ-WNJJXGMVSA-N 1 0 576.625 8.047 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469515 572242489 /nfs/dbraw/zinc/24/24/89/572242489.db2.gz DXTKWLCQENMOIQ-JOCHJYFZSA-N 1 0 551.916 6.029 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720652 572243804 /nfs/dbraw/zinc/24/38/04/572243804.db2.gz AFFDGHSTNVOXTN-XMMPIXPASA-N 1 0 509.053 6.742 50 0 KKAARO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740678 572244196 /nfs/dbraw/zinc/24/41/96/572244196.db2.gz NLCULVGISUPKDD-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842923 572245934 /nfs/dbraw/zinc/24/59/34/572245934.db2.gz FZTQSCRLCHIVMZ-JOCHJYFZSA-N 1 0 576.514 5.488 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839336 572246066 /nfs/dbraw/zinc/24/60/66/572246066.db2.gz DZOJIUBDBADWPU-DEOSSOPVSA-N 1 0 546.090 5.438 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851070 572246373 /nfs/dbraw/zinc/24/63/73/572246373.db2.gz IRNOTFKIXGHSHN-QFIPXVFZSA-N 1 0 532.063 5.379 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854185 572246608 /nfs/dbraw/zinc/24/66/08/572246608.db2.gz BWDHGCXQRRMCJV-HHHXNRCGSA-N 1 0 556.154 5.916 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871739 572247037 /nfs/dbraw/zinc/24/70/37/572247037.db2.gz QYKGWKIXURMSDN-OAQYLSRUSA-N 1 0 627.414 6.656 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870906 572247297 /nfs/dbraw/zinc/24/72/97/572247297.db2.gz QOOKZSPZWKPEJC-OAQYLSRUSA-N 1 0 594.504 5.627 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875146 572247503 /nfs/dbraw/zinc/24/75/03/572247503.db2.gz NQCHRJRXIKVABB-XMMPIXPASA-N 1 0 625.000 6.241 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875145 572247575 /nfs/dbraw/zinc/24/75/75/572247575.db2.gz NQCHRJRXIKVABB-DEOSSOPVSA-N 1 0 625.000 6.241 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877590 572247967 /nfs/dbraw/zinc/24/79/67/572247967.db2.gz HRKUDLRLOWSQRK-VWLOTQADSA-N 1 0 558.126 5.307 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889797 572248258 /nfs/dbraw/zinc/24/82/58/572248258.db2.gz YCOBLRXDHATCFS-DEOSSOPVSA-N 1 0 577.611 7.494 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883910 572248300 /nfs/dbraw/zinc/24/83/00/572248300.db2.gz KHCGDBXHAOQXTM-MHZLTWQESA-N 1 0 542.768 6.799 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919874 572249490 /nfs/dbraw/zinc/24/94/90/572249490.db2.gz XGXPKAGJUKAIKQ-NRFANRHFSA-N 1 0 533.470 5.325 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941997 572250249 /nfs/dbraw/zinc/25/02/49/572250249.db2.gz QAAGOHJOPWRVKK-XMMPIXPASA-N 1 0 590.555 5.588 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969080 572251259 /nfs/dbraw/zinc/25/12/59/572251259.db2.gz CQBQLSARSSICHV-FQEVSTJZSA-N 1 0 542.511 5.121 50 0 KKAARO Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977991 572251326 /nfs/dbraw/zinc/25/13/26/572251326.db2.gz DSBGSLZZFXMPGG-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984809 572251424 /nfs/dbraw/zinc/25/14/24/572251424.db2.gz ILDHHERDDRHVCO-LJAQVGFWSA-N 1 0 535.736 5.763 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247997867 572251599 /nfs/dbraw/zinc/25/15/99/572251599.db2.gz DMBVCXJRXPFFAC-XTEPFMGCSA-N 1 0 505.449 5.649 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991613 572251640 /nfs/dbraw/zinc/25/16/40/572251640.db2.gz MXMCPJURABYYMV-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO Cc1cccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056529 572252996 /nfs/dbraw/zinc/25/29/96/572252996.db2.gz CEWAAOKDMKQCRY-VWLOTQADSA-N 1 0 501.074 5.617 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072446 572253145 /nfs/dbraw/zinc/25/31/45/572253145.db2.gz AHHREJGMAWSHLI-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093328 572253397 /nfs/dbraw/zinc/25/33/97/572253397.db2.gz HQAQLDQKVYVYTP-AREMUKBSSA-N 1 0 542.127 5.607 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104440 572253518 /nfs/dbraw/zinc/25/35/18/572253518.db2.gz QDGPRDNTJMHSBT-FMGHJNRGSA-N 1 0 509.760 5.670 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248099124 572253618 /nfs/dbraw/zinc/25/36/18/572253618.db2.gz OQDQWEHJGKJEQU-ABYGYWHVSA-N 1 0 520.639 7.103 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104445 572253629 /nfs/dbraw/zinc/25/36/29/572253629.db2.gz QDGPRDNTJMHSBT-IBGGVINMSA-N 1 0 509.760 5.670 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248097262 572253661 /nfs/dbraw/zinc/25/36/61/572253661.db2.gz IQLLZEXSVNXIAU-AREMUKBSSA-N 1 0 542.127 5.607 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248106526 572253810 /nfs/dbraw/zinc/25/38/10/572253810.db2.gz LSQMQGXTVHSESX-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121612 572254216 /nfs/dbraw/zinc/25/42/16/572254216.db2.gz SAVYTGWDLKJHKL-YTMVLYRLSA-N 1 0 508.628 7.028 50 0 KKAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125584 572254490 /nfs/dbraw/zinc/25/44/90/572254490.db2.gz FRZWOYNQQJUYHJ-IBGZPJMESA-N 1 0 519.443 5.647 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1C ZINC000248143736 572255521 /nfs/dbraw/zinc/25/55/21/572255521.db2.gz GOJJNHHCEQZABO-MHZLTWQESA-N 1 0 556.154 5.916 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164828 572256098 /nfs/dbraw/zinc/25/60/98/572256098.db2.gz QTXMIGVAITZXAJ-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172611 572256239 /nfs/dbraw/zinc/25/62/39/572256239.db2.gz XEKMMOJCSBWSIR-RUZDIDTESA-N 1 0 525.672 5.342 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245042 572256985 /nfs/dbraw/zinc/25/69/85/572256985.db2.gz QBHQFXCSRWJHIQ-SQHAQQRYSA-N 1 0 513.579 6.254 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@H]([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000248266678 572257599 /nfs/dbraw/zinc/25/75/99/572257599.db2.gz ZQUBRKJSKNTGGQ-KTJVCJKDSA-N 1 0 528.958 5.675 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289869 572257783 /nfs/dbraw/zinc/25/77/83/572257783.db2.gz KDGHVVLSQKCCOI-QCENPCRXSA-N 1 0 543.067 5.173 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288232 572257818 /nfs/dbraw/zinc/25/78/18/572257818.db2.gz HMYBVOZWVICHGA-IZEXYCQBSA-N 1 0 587.518 5.282 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980823 572259656 /nfs/dbraw/zinc/25/96/56/572259656.db2.gz FTFHOBGJZUABPL-RUZDIDTESA-N 1 0 586.578 5.911 50 0 KKAARO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252006541 572259740 /nfs/dbraw/zinc/25/97/40/572259740.db2.gz PDHJNVQIRGFGOZ-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CCCc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000252253151 572259844 /nfs/dbraw/zinc/25/98/44/572259844.db2.gz MIPYIZIXGATIAO-DEOSSOPVSA-N 1 0 501.074 6.541 50 0 KKAARO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370520 572260183 /nfs/dbraw/zinc/26/01/83/572260183.db2.gz YDQYBSGQBJBFSV-NRFANRHFSA-N 1 0 531.498 6.762 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(C(=O)[C@H]3Cc4ccccc4CO3)CC2)CC1 ZINC000252478282 572261431 /nfs/dbraw/zinc/26/14/31/572261431.db2.gz AICHBKNURKIUKC-GDLZYMKVSA-N 1 0 598.710 5.611 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252537622 572262910 /nfs/dbraw/zinc/26/29/10/572262910.db2.gz LVQUXHKZDJLRJA-BHYZAODMSA-N 1 0 688.891 5.177 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585320 572264519 /nfs/dbraw/zinc/26/45/19/572264519.db2.gz HSEDMGOCZZYPGG-UWZBRCLASA-N 1 0 708.731 5.231 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585642 572264794 /nfs/dbraw/zinc/26/47/94/572264794.db2.gz KBLHILREQNVSSP-QGTBSMAUSA-N 1 0 625.597 5.054 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252586340 572265320 /nfs/dbraw/zinc/26/53/20/572265320.db2.gz PHNNBMSMZUEJBY-JEZJFMSLSA-N 1 0 691.288 5.854 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252586550 572265478 /nfs/dbraw/zinc/26/54/78/572265478.db2.gz QTBOIOVFPCNPIH-NFFHTTNPSA-N 1 0 617.206 5.021 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373355 572282107 /nfs/dbraw/zinc/28/21/07/572282107.db2.gz INUYKDTWZDTVGN-MXMCVKMKSA-N 1 0 572.636 6.596 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC[C@@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000253387632 572282565 /nfs/dbraw/zinc/28/25/65/572282565.db2.gz JGPPKNUAZRWESR-MPXDANMKSA-N 1 0 561.694 6.497 50 0 KKAARO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479738 572289988 /nfs/dbraw/zinc/28/99/88/572289988.db2.gz RZQOIBNBFRAMJW-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607334 572300987 /nfs/dbraw/zinc/30/09/87/572300987.db2.gz MPZNZGJJCVCKEU-LJAQVGFWSA-N 1 0 565.762 5.777 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607265 572301006 /nfs/dbraw/zinc/30/10/06/572301006.db2.gz HVOXUTDNQMPWRR-VWLOTQADSA-N 1 0 600.605 6.472 50 0 KKAARO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607533 572301065 /nfs/dbraw/zinc/30/10/65/572301065.db2.gz IBAPXSMXRSAOHU-NRFANRHFSA-N 1 0 531.498 6.762 50 0 KKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000257356932 572321997 /nfs/dbraw/zinc/32/19/97/572321997.db2.gz LDLFMTWFFWGZLY-URLXPMLVSA-N 1 0 511.835 8.424 50 0 KKAARO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@H]32)[N@H+](C)C1 ZINC000257359384 572322170 /nfs/dbraw/zinc/32/21/70/572322170.db2.gz ZXIDTTGVCKUJNE-QGFGJNQOSA-N 1 0 767.001 6.929 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000247744046 1069817043 /nfs/dbraw/zinc/81/70/43/1069817043.db2.gz PNUXIBNCEKCHLP-TZFHJCGVSA-N 1 0 624.922 6.840 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936664 1069824018 /nfs/dbraw/zinc/82/40/18/1069824018.db2.gz JBLOXHQFXNLXLO-HHHXNRCGSA-N 1 0 545.687 6.188 50 0 KKAARO O=C(c1cn2ccsc2n1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101757742 1069819354 /nfs/dbraw/zinc/81/93/54/1069819354.db2.gz COSKVTNVKVVBLC-RUZDIDTESA-N 1 0 564.155 5.835 50 0 KKAARO O=C(c1cn2ccsc2n1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101757738 1069819404 /nfs/dbraw/zinc/81/94/04/1069819404.db2.gz COSKVTNVKVVBLC-VWLOTQADSA-N 1 0 564.155 5.835 50 0 KKAARO O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101755208 1069819452 /nfs/dbraw/zinc/81/94/52/1069819452.db2.gz CFKDJIRPJXRLRI-NDEPHWFRSA-N 1 0 589.180 5.693 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733069 1069835998 /nfs/dbraw/zinc/83/59/98/1069835998.db2.gz QMOCOFWAJPNQOL-BAEGBANDSA-N 1 0 562.798 7.519 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964923 1069838217 /nfs/dbraw/zinc/83/82/17/1069838217.db2.gz TUORCACQSBWQAY-MHZLTWQESA-N 1 0 561.648 6.746 50 0 KKAARO COc1ccc([C@](O)([C@H](C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734250 1069837675 /nfs/dbraw/zinc/83/76/75/1069837675.db2.gz NCHYNYKOJPQQIY-IGHJDKERSA-N 1 0 609.254 8.308 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000409414786 1069848016 /nfs/dbraw/zinc/84/80/16/1069848016.db2.gz OGAALCAMVGRVKS-DMZPQFDLSA-N 1 0 646.829 5.509 50 0 KKAARO COc1ccc(OC)c(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000248244348 1069850442 /nfs/dbraw/zinc/85/04/42/1069850442.db2.gz GEHKWNZHBVKLTB-JQLWZVHWSA-N 1 0 536.628 5.418 50 0 KKAARO COc1ccc(/C=C/C(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4cccc5ncccc45)c3)CC2)cc1OC ZINC000102428250 1069856906 /nfs/dbraw/zinc/85/69/06/1069856906.db2.gz GXRRBMDHDGMCHI-FYWRMAATSA-N 1 0 551.687 5.967 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1cccc(Cl)c1 ZINC000102425741 1069857281 /nfs/dbraw/zinc/85/72/81/1069857281.db2.gz XRJWPHHVPZGBOZ-ZCYQVOJMSA-N 1 0 560.016 5.179 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000102592653 1069860656 /nfs/dbraw/zinc/86/06/56/1069860656.db2.gz AKNYPROOWFPWBY-DITALETJSA-N 1 0 572.124 6.150 50 0 KKAARO COCc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)o1 ZINC000102658015 1069861061 /nfs/dbraw/zinc/86/10/61/1069861061.db2.gz ISWQEMJGPWYIEA-OAQYLSRUSA-N 1 0 552.977 6.113 50 0 KKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102678501 1069861934 /nfs/dbraw/zinc/86/19/34/1069861934.db2.gz OOIDGVKADDJTRP-HSZRJFAPSA-N 1 0 575.738 7.258 50 0 KKAARO CCN1c2cc(OC)ccc2S/C1=C\C=C(\C=C\c1sc2ccc(OC)cc2[n+]1CC)c1ccccc1 ZINC000685944273 1070940544 /nfs/dbraw/zinc/94/05/44/1070940544.db2.gz HZXHWLXIXKGPDT-UHFFFAOYSA-N 1 0 527.735 7.796 50 0 KKAARO C(/C=C/C=C\C=C/c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000685944724 1070945619 /nfs/dbraw/zinc/94/56/19/1070945619.db2.gz WVCNTWCWOFSMKJ-UHFFFAOYSA-N 1 0 587.833 12.244 50 0 KKAARO CCN1c2ccccc2SC1=CC1=CC(=CC=Cc2cc[n+](CC)c3ccc(C(F)(F)F)cc23)CC(C)(C)C1 ZINC000685944744 1070945696 /nfs/dbraw/zinc/94/56/96/1070945696.db2.gz USPHCELBYJYCPV-UHFFFAOYSA-N 1 0 547.710 9.351 50 0 KKAARO CCN1c2cc3c(cc2S/C1=C\C=C1\CCCC(/C=C/c2sc4cc5c(cc4[n+]2CC)OCO5)=C1C)OCO3 ZINC000685944757 1070945711 /nfs/dbraw/zinc/94/57/11/1070945711.db2.gz VLJQJABVFNEPSP-UHFFFAOYSA-N 1 0 559.733 7.580 50 0 KKAARO CCN1c2cc(OC)c(OC)cc2S/C1=C/C1=C(C)/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000685944773 1070946118 /nfs/dbraw/zinc/94/61/18/1070946118.db2.gz WFDUPQKZJMKVIL-UHFFFAOYSA-N 1 0 609.903 8.950 50 0 KKAARO CCN1c2cc(OC)ccc2S/C1=C/C=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000685944341 1070941892 /nfs/dbraw/zinc/94/18/92/1070941892.db2.gz DSSDNHRYHCDHQP-UHFFFAOYSA-N 1 0 515.768 8.377 50 0 KKAARO CCN1c2ccccc2S/C1=C/C=C1/CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1OC(C)C ZINC000685944358 1070941949 /nfs/dbraw/zinc/94/19/49/1070941949.db2.gz FICIAWFQQNJYNR-UHFFFAOYSA-N 1 0 515.768 8.485 50 0 KKAARO CC(C)(C)c1cc(/C=C/C=C/C=C2/C=C(C(C)(C)C)C=C(c3ccccc3)S2)[s+]c(-c2ccccc2)c1 ZINC000685944419 1070943151 /nfs/dbraw/zinc/94/31/51/1070943151.db2.gz JESLGVPNNQMZQH-UHFFFAOYSA-N 1 0 521.815 11.207 50 0 KKAARO CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C1=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC000103004378 1070970025 /nfs/dbraw/zinc/97/00/25/1070970025.db2.gz SOMMQCZDEQGXBG-XLNRJJMWSA-N 1 0 589.714 5.741 50 0 KKAARO CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CC[N@H+](CC)C2 ZINC000103004173 1070968589 /nfs/dbraw/zinc/96/85/89/1070968589.db2.gz NNGPRFDQQSRHNR-HKWRFOASSA-N 1 0 536.053 5.596 50 0 KKAARO Cc1cc(C)n(CC(=O)N2CCCC[C@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)n1 ZINC000299787800 1071049332 /nfs/dbraw/zinc/04/93/32/1071049332.db2.gz QOEBJEPIHIIGQE-NDEPHWFRSA-N 1 0 550.147 5.326 50 0 KKAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)N(Cc3ccc4ccccc4c3)C2)c(C)c1C ZINC000299799155 1071049779 /nfs/dbraw/zinc/04/97/79/1071049779.db2.gz PVALKKASKCPDJI-SAIUNTKASA-N 1 0 593.768 5.800 50 0 KKAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652887 1071137763 /nfs/dbraw/zinc/13/77/63/1071137763.db2.gz LLTGVRIILDILAJ-NAKRPHOHSA-N 1 0 532.681 5.141 50 0 KKAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(Cc3nncn3Cc3ccccc3)CC2)CC1 ZINC000169780098 1071185801 /nfs/dbraw/zinc/18/58/01/1071185801.db2.gz LABMXBLCRXNEPC-UHFFFAOYSA-N 1 0 552.723 5.292 50 0 KKAARO CCN1c2cc(/C=C\c3ccc(OC)cc3)ccc2S/C1=C/C(C)=C\c1sc2ccccc2[n+]1CC ZINC000033489431 1071198571 /nfs/dbraw/zinc/19/85/71/1071198571.db2.gz PXMNAMLGRUILRI-QXMHVHEDSA-N 1 0 511.736 8.265 50 0 KKAARO C[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815199 1071232024 /nfs/dbraw/zinc/23/20/24/1071232024.db2.gz HJGWNCKSBZGGQQ-QHCPKHFHSA-N 1 0 527.640 5.439 50 0 KKAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Oc4cccc(C[N@H+](C)Cc5ccsc5)c4)CC3)cc2)n1 ZINC000011868495 1071232854 /nfs/dbraw/zinc/23/28/54/1071232854.db2.gz CDIDJGURXYNDLY-UHFFFAOYSA-N 1 0 528.722 5.925 50 0 KKAARO O=C(Cc1ccsc1)N1CCN(CCOc2cccc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)c2)CC1 ZINC000011910416 1071233830 /nfs/dbraw/zinc/23/38/30/1071233830.db2.gz KMODHHAKOHIMHG-UHFFFAOYSA-N 1 0 527.734 5.074 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000012218655 1071239418 /nfs/dbraw/zinc/23/94/18/1071239418.db2.gz IVVGRDWQXOUQDQ-UHFFFAOYSA-N 1 0 513.707 6.424 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000245267429 1071254578 /nfs/dbraw/zinc/25/45/78/1071254578.db2.gz LRGYBFLJIOVOAW-ZDLNPNFRSA-N 1 0 724.327 6.654 50 0 KKAARO N#CC1C(=S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Br)cc1 ZINC000036020196 1071255914 /nfs/dbraw/zinc/25/59/14/1071255914.db2.gz JHNMEQVTHLWGNP-SLQPCKNISA-O 1 0 515.456 5.328 50 0 KKAARO CC[NH+](CC)[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1ccc(C(C)C)cc1 ZINC000606422262 1071275848 /nfs/dbraw/zinc/27/58/48/1071275848.db2.gz IEPGVNUUOGPIMR-MHZLTWQESA-N 1 0 505.666 7.570 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](CCc2ccccc2)C1 ZINC000200592234 1071291180 /nfs/dbraw/zinc/29/11/80/1071291180.db2.gz PHBRQKWIUKDRRP-URLMMPGGSA-N 1 0 534.704 5.135 50 0 KKAARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)/C=C\c3ccc4c(c3)OCO4)c(C[NH+](C)C)c21 ZINC000034849178 1072825420 /nfs/dbraw/zinc/82/54/20/1072825420.db2.gz FHCPOZRZVPWVSU-PTNGSMBKSA-N 1 0 513.546 5.686 50 0 KKAARO O=C1c2ccccc2/C(=C/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Cl ZINC000097980972 1072838864 /nfs/dbraw/zinc/83/88/64/1072838864.db2.gz OMLIPFKRIKSNRX-NFFVHWSESA-N 1 0 534.059 6.275 50 0 KKAARO COc1ccc(C2(C[NH2+]C[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@@H](C)C[C@]6(C)[C@@H]5CC[C@@]43C)CCCC2)cc1OC ZINC000253612762 1072842526 /nfs/dbraw/zinc/84/25/26/1072842526.db2.gz UZOQIYJAFLJWLY-QPNFYVMGSA-N 1 0 595.865 6.519 50 0 KKAARO O=C(NCCOc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014755499 1072891953 /nfs/dbraw/zinc/89/19/53/1072891953.db2.gz SMBLORXXLGEDQR-LBNVMWSVSA-N 1 0 512.625 5.691 50 0 KKAARO COc1cccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000014977703 1072893698 /nfs/dbraw/zinc/89/36/98/1072893698.db2.gz IPUXYZHUKIELJR-OAQYLSRUSA-N 1 0 506.668 5.488 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)CSc2ccccn2)C3)s1 ZINC000014999634 1072895678 /nfs/dbraw/zinc/89/56/78/1072895678.db2.gz UXYYYGDASQJEJE-OAQYLSRUSA-N 1 0 523.724 5.352 50 0 KKAARO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000020452125 1072898004 /nfs/dbraw/zinc/89/80/04/1072898004.db2.gz NMSUAADAZUCNPL-NSOVKSMOSA-N 1 0 534.100 5.284 50 0 KKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000001421912 551668523 /nfs/dbraw/zinc/66/85/23/551668523.db2.gz BMDPDQKQDWHOTJ-ZFWWWQNUSA-N 1 0 527.341 5.192 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(C)cccc1C ZINC000001788038 551701051 /nfs/dbraw/zinc/70/10/51/551701051.db2.gz JVXGDZNXWZNKSE-JGCGQSQUSA-N 1 0 518.657 7.186 50 0 biogenic KKAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000001819891 551708650 /nfs/dbraw/zinc/70/86/50/551708650.db2.gz HIDNBNMCAVYJQC-SSEXGKCCSA-N 1 0 514.691 5.562 50 0 KKAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061189 551742708 /nfs/dbraw/zinc/74/27/08/551742708.db2.gz OKPSOGXYILIUFU-BJKOFHAPSA-N 1 0 511.796 6.460 50 0 KKAARO CCOc1ccccc1-c1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000002121952 551770863 /nfs/dbraw/zinc/77/08/63/551770863.db2.gz WAVOMHOVECUPAI-UHFFFAOYSA-N 1 0 504.634 6.176 50 0 biogenic KKAARO COc1ccccc1N(C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002203035 551793080 /nfs/dbraw/zinc/79/30/80/551793080.db2.gz RJRLQVROPIDMOO-MUUNZHRXSA-N 1 0 530.690 5.262 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000002735936 552169915 /nfs/dbraw/zinc/16/99/15/552169915.db2.gz JHQUZZVMMXLZMZ-HXUWFJFHSA-N 1 0 512.846 6.112 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(COc4ccc(F)c(Cl)c4)c2)N3)C1 ZINC000002738032 552170696 /nfs/dbraw/zinc/17/06/96/552170696.db2.gz GWJJRIWGFBLDAF-QHCPKHFHSA-N 1 0 502.011 5.360 50 0 KKAARO C[N@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1cc2ccccc2oc1=O)C1CCCCC1 ZINC000002754363 552177168 /nfs/dbraw/zinc/17/71/68/552177168.db2.gz BPZYYGZUVLNJCC-UHFFFAOYSA-N 1 0 548.275 6.335 50 0 KKAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000002857253 552202735 /nfs/dbraw/zinc/20/27/35/552202735.db2.gz JYOWYHBLJBCTSL-AREMUKBSSA-N 1 0 502.998 5.522 50 0 KKAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912929 552215340 /nfs/dbraw/zinc/21/53/40/552215340.db2.gz XOGTYJRIGWQPBN-HXUWFJFHSA-N 1 0 522.114 6.359 50 0 KKAARO Cc1ccccc1S(=O)(=O)N(C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000002948054 552228246 /nfs/dbraw/zinc/22/82/46/552228246.db2.gz ZWTZIIBHLDQLQX-GDLZYMKVSA-N 1 0 500.664 5.254 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)C1CCCCC1 ZINC000003042044 552273223 /nfs/dbraw/zinc/27/32/23/552273223.db2.gz LPTZMUXOBIIKJR-UHFFFAOYSA-N 1 0 504.071 5.502 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003062089 552282976 /nfs/dbraw/zinc/28/29/76/552282976.db2.gz GBRPCHCOSOSQEP-STKMKYKTSA-N 1 0 577.725 6.900 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000003062410 552283211 /nfs/dbraw/zinc/28/32/11/552283211.db2.gz AGFKDZDTUFKBTJ-UHFFFAOYSA-N 1 0 582.166 5.677 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)C1=O ZINC000003064435 552284470 /nfs/dbraw/zinc/28/44/70/552284470.db2.gz NXRHPAWVMZAATB-SOOSUCDBSA-N 1 0 539.745 6.527 50 0 KKAARO CCCC[NH+](CCCC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003128841 552291978 /nfs/dbraw/zinc/29/19/78/552291978.db2.gz HEDBFINLLAVNMJ-GOSISDBHSA-N 1 0 589.210 7.345 50 0 KKAARO Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000003164334 552297973 /nfs/dbraw/zinc/29/79/73/552297973.db2.gz UPVFMIONNDMPRW-QFIPXVFZSA-N 1 0 508.636 5.388 50 0 KKAARO CCOc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1OC ZINC000003646109 552401710 /nfs/dbraw/zinc/40/17/10/552401710.db2.gz CCOYXUQUHGMTEG-GZTJUZNOSA-N 1 0 553.659 6.934 50 0 KKAARO CCS(=O)(=O)Nc1ccc2c(c1)C(=C(Nc1ccc(C[NH+]3CCCCC3)cc1)c1ccccc1)C(=O)N2 ZINC000003944221 552423321 /nfs/dbraw/zinc/42/33/21/552423321.db2.gz GLDSKRNGVVYJAB-DQSJHHFOSA-N 1 0 516.667 5.367 50 0 in-vivo KKAARO Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000004262458 552454359 /nfs/dbraw/zinc/45/43/59/552454359.db2.gz CTKNMSVWMRRCPW-SSEXGKCCSA-N 1 0 652.256 10.292 50 0 in-vitro KKAARO Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000004262457 552454382 /nfs/dbraw/zinc/45/43/82/552454382.db2.gz CTKNMSVWMRRCPW-PMERELPUSA-N 1 0 652.256 10.292 50 0 in-vitro KKAARO CN1c2c(ccc3ccccc23)C(C)(C)/C1=C\C=C\C=C\C=C\C1=[N+](C)c2c(ccc3ccccc23)C1(C)C ZINC000004272032 552455416 /nfs/dbraw/zinc/45/54/16/552455416.db2.gz CWVCWXWMSZAMMV-UHFFFAOYSA-N 1 0 509.717 8.979 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2cc(Cl)ccc21 ZINC000004427490 552460511 /nfs/dbraw/zinc/46/05/11/552460511.db2.gz SDPFFPOZNWFUGT-KAPURRDVSA-N 1 0 501.900 7.139 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762035 552478488 /nfs/dbraw/zinc/47/84/88/552478488.db2.gz ARKGPKYZEJDRCS-WJOKGBTCSA-N 1 0 615.800 5.027 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762100 552478885 /nfs/dbraw/zinc/47/88/85/552478885.db2.gz PXFCWXFQDMWEQR-HKBQPEDESA-N 1 0 599.801 5.327 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762145 552478932 /nfs/dbraw/zinc/47/89/32/552478932.db2.gz NKXLBZYMLIXWKW-LJAQVGFWSA-N 1 0 634.202 5.060 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166928 552557788 /nfs/dbraw/zinc/55/77/88/552557788.db2.gz MJLBQJYKXRXYGT-UHFFFAOYSA-N 1 0 632.075 8.806 50 0 KKAARO O=C(CCC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000008385616 552991088 /nfs/dbraw/zinc/99/10/88/552991088.db2.gz PBFCVRVFRZFVES-PSXMRANNSA-N 1 0 544.764 7.876 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000008435202 553029872 /nfs/dbraw/zinc/02/98/72/553029872.db2.gz OAXDKXMGESZLKV-MHZLTWQESA-N 1 0 650.415 7.130 50 0 KKAARO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000008439474 553035737 /nfs/dbraw/zinc/03/57/37/553035737.db2.gz ZRZZJVAOTLZBAC-MKANCYJNSA-N 1 0 536.031 5.423 50 0 KKAARO O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454575 553069314 /nfs/dbraw/zinc/06/93/14/553069314.db2.gz FFKCDBDXHGVPGQ-RTCIJLJMSA-N 1 0 626.949 6.686 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008583569 553080040 /nfs/dbraw/zinc/08/00/40/553080040.db2.gz FXPRKZKEPVACAU-VWLOTQADSA-N 1 0 580.150 5.718 50 0 KKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000008597489 553093058 /nfs/dbraw/zinc/09/30/58/553093058.db2.gz IVQNUMMPYCKMIK-UHFFFAOYSA-N 1 0 527.496 5.826 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597605 553093564 /nfs/dbraw/zinc/09/35/64/553093564.db2.gz IVVLOZPZBSDULJ-OAQYLSRUSA-N 1 0 566.123 5.185 50 0 KKAARO CCCCSCCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Br)c3)oc2C)CC1 ZINC000008597603 553093600 /nfs/dbraw/zinc/09/36/00/553093600.db2.gz IDZNSDVSSPKPGN-UHFFFAOYSA-N 1 0 508.526 5.664 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597807 553094026 /nfs/dbraw/zinc/09/40/26/553094026.db2.gz ZXPOFMKVXXTLDN-XMMPIXPASA-N 1 0 507.078 5.481 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598086 553094693 /nfs/dbraw/zinc/09/46/93/553094693.db2.gz VHDBKCPLWJLJRC-QHCPKHFHSA-N 1 0 559.732 5.148 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnn2-c2cccc(F)c2)CC1 ZINC000008597961 553094708 /nfs/dbraw/zinc/09/47/08/553094708.db2.gz MQJXNZZEAUBJMF-UHFFFAOYSA-N 1 0 561.702 5.520 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696041 553125554 /nfs/dbraw/zinc/12/55/54/553125554.db2.gz XVKPUBUOGCGNQE-CYEXUTLASA-N 1 0 605.827 6.804 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000008696047 553125585 /nfs/dbraw/zinc/12/55/85/553125585.db2.gz UBUUVUDADUWAJX-ONEAXSQQSA-N 1 0 621.870 6.579 50 0 KKAARO COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717728 553129144 /nfs/dbraw/zinc/12/91/44/553129144.db2.gz YWMOMAQSONHXLU-AREMUKBSSA-N 1 0 518.455 5.994 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000008749392 553134936 /nfs/dbraw/zinc/13/49/36/553134936.db2.gz XPSUQOOIMPKGHI-ANHUGMMASA-N 1 0 610.774 6.886 50 0 KKAARO Cc1ccc(/C=C2\SC(=O)N(CC[N@H+](C)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)C2=O)c(C)c1 ZINC000008766746 553139063 /nfs/dbraw/zinc/13/90/63/553139063.db2.gz OLGZGQCNJUIUFY-IDUDEYGOSA-N 1 0 521.664 5.008 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21)Cc1ccccc1 ZINC000008812906 553150359 /nfs/dbraw/zinc/15/03/59/553150359.db2.gz SUVBBOOTXPHYCT-UHFFFAOYSA-N 1 0 518.126 7.462 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+]2CCCCC2)cc1OCC ZINC000008836993 553163461 /nfs/dbraw/zinc/16/34/61/553163461.db2.gz YRCVVYVOYFBEST-SANMLTNESA-N 1 0 524.702 5.436 50 0 biogenic KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008911898 553184627 /nfs/dbraw/zinc/18/46/27/553184627.db2.gz DVTGWNNIZNJQRE-UHFFFAOYSA-N 1 0 501.700 5.624 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913755 553185516 /nfs/dbraw/zinc/18/55/16/553185516.db2.gz OYODENPBMNAAEW-DEOSSOPVSA-N 1 0 503.647 5.125 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000009019613 553200999 /nfs/dbraw/zinc/20/09/99/553200999.db2.gz YQRKNHWYWWWCKL-RUZDIDTESA-N 1 0 508.449 6.538 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+](CC)CC)cc1OCC ZINC000009043500 553202909 /nfs/dbraw/zinc/20/29/09/553202909.db2.gz YAWFXTKEAKVJQG-RUZDIDTESA-N 1 0 512.691 5.292 50 0 biogenic KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000009046245 553203719 /nfs/dbraw/zinc/20/37/19/553203719.db2.gz YQRKNHWYWWWCKL-VWLOTQADSA-N 1 0 508.449 6.538 50 0 KKAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095157 553209505 /nfs/dbraw/zinc/20/95/05/553209505.db2.gz ITRWUMXUARAAAE-CHJDUVSTSA-N 1 0 508.666 5.535 50 0 KKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c12 ZINC000009116985 553211894 /nfs/dbraw/zinc/21/18/94/553211894.db2.gz TWDLWRTYIZPINK-UHFFFAOYSA-N 1 0 502.062 5.641 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009164715 553215695 /nfs/dbraw/zinc/21/56/95/553215695.db2.gz NYKMAHGDJZOFFH-OAQYLSRUSA-N 1 0 506.391 5.795 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227844 553222444 /nfs/dbraw/zinc/22/24/44/553222444.db2.gz RSRYHHVWRVHOGF-QHCPKHFHSA-N 1 0 535.733 5.290 50 0 KKAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc(Sc5ccccc5)cc4)=NN23)cc1 ZINC000009358168 553247519 /nfs/dbraw/zinc/24/75/19/553247519.db2.gz YVALUFAEOYAGQI-HKBQPEDESA-N 1 0 517.698 7.374 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000009407159 553256854 /nfs/dbraw/zinc/25/68/54/553256854.db2.gz JFCRYKAWSJNCRD-KAYWLYCHSA-N 1 0 502.684 5.075 50 0 KKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]C3CCN(Cc4ccccc4)CC3)cc21 ZINC000009409354 553257179 /nfs/dbraw/zinc/25/71/79/553257179.db2.gz WZYOLYLGHVLBLE-GDLZYMKVSA-N 1 0 525.693 5.444 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H]1c1cccs1 ZINC000009432863 553262679 /nfs/dbraw/zinc/26/26/79/553262679.db2.gz WCEJDJPKEQUXHF-IZLXSDGUSA-N 1 0 517.695 5.546 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433329 553263146 /nfs/dbraw/zinc/26/31/46/553263146.db2.gz ALWRIKVPWYIDRQ-KAYWLYCHSA-N 1 0 507.700 5.696 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009473181 553270751 /nfs/dbraw/zinc/27/07/51/553270751.db2.gz PQFDANYFWBEJDC-NRFANRHFSA-N 1 0 513.107 5.113 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000009560494 553280508 /nfs/dbraw/zinc/28/05/08/553280508.db2.gz GGWTWTKBWQQGBO-NUZLPUNMSA-N 1 0 533.713 5.092 50 0 KKAARO C[NH+](C)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009581941 553282357 /nfs/dbraw/zinc/28/23/57/553282357.db2.gz XGRIWTBEZBBMPY-HHHXNRCGSA-N 1 0 521.448 5.365 50 0 KKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)ccc2Sc2ccccc21 ZINC000009607996 553287510 /nfs/dbraw/zinc/28/75/10/553287510.db2.gz MLPWYEXZVLHFJN-UHFFFAOYSA-N 1 0 511.735 7.147 50 0 KKAARO CCOc1ccc(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678495 553295625 /nfs/dbraw/zinc/29/56/25/553295625.db2.gz VQEQGQVUOIRMSH-QFIPXVFZSA-N 1 0 529.706 6.001 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678433 553295643 /nfs/dbraw/zinc/29/56/43/553295643.db2.gz CFHYUWWCZCVLLA-LJQANCHMSA-N 1 0 524.061 6.005 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000009857859 553313778 /nfs/dbraw/zinc/31/37/78/553313778.db2.gz KJKYZOJOYBHPNK-KYJUHHDHSA-N 1 0 529.750 6.022 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000010059897 553327494 /nfs/dbraw/zinc/32/74/94/553327494.db2.gz XUFSHIPKDZUZAN-UHFFFAOYSA-N 1 0 502.398 5.434 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000011784539 553342706 /nfs/dbraw/zinc/34/27/06/553342706.db2.gz IHLPWWOJITUIAO-WDYNHAJCSA-N 1 0 522.674 5.548 50 0 KKAARO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@@H+](C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156796 553352919 /nfs/dbraw/zinc/35/29/19/553352919.db2.gz KSUVYWWDWQLDER-LJAQVGFWSA-N 1 0 507.678 6.639 50 0 KKAARO Cc1nc(CC(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000012203586 553354027 /nfs/dbraw/zinc/35/40/27/553354027.db2.gz UTGMDEJTVVDBED-UHFFFAOYSA-N 1 0 505.709 5.911 50 0 KKAARO CCCC[NH+](CCCC)CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(OC)cc1 ZINC000012419915 553365678 /nfs/dbraw/zinc/36/56/78/553365678.db2.gz JSOSZSHYGIBSHQ-GDLZYMKVSA-N 1 0 504.675 5.931 50 0 KKAARO [NH2+]=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012523950 553383194 /nfs/dbraw/zinc/38/31/94/553383194.db2.gz HRBRLYXISRENNV-UHFFFAOYSA-N 1 0 500.546 5.452 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)C[N@@H+]1C1C2CC3CC(C2)CC1C3 ZINC000014879742 553520763 /nfs/dbraw/zinc/52/07/63/553520763.db2.gz DCESEFPOBRFPIP-CCACEFRTSA-N 1 0 518.752 5.710 50 0 KKAARO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014976008 553523288 /nfs/dbraw/zinc/52/32/88/553523288.db2.gz GMPNYXMBQXJTTB-HHHXNRCGSA-N 1 0 500.658 6.065 50 0 KKAARO CSc1ccc2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(Cl)cc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000014998677 553524617 /nfs/dbraw/zinc/52/46/17/553524617.db2.gz RPZFYAYBFCISBA-LJAQVGFWSA-N 1 0 512.078 6.699 50 0 KKAARO COc1cc2c(cc1C[NH+]1CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC1)oc(C)c2-c1ccccc1 ZINC000015071110 553527358 /nfs/dbraw/zinc/52/73/58/553527358.db2.gz QTXMWCWTRUFKFU-DEOSSOPVSA-N 1 0 532.710 6.196 50 0 KKAARO Cc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000015069512 553527406 /nfs/dbraw/zinc/52/74/06/553527406.db2.gz YJJLICWVZDLJKA-UHFFFAOYSA-N 1 0 508.666 5.012 50 0 KKAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319714 553531813 /nfs/dbraw/zinc/53/18/13/553531813.db2.gz SMXGJCRSRYGRBF-KFCNMZSLSA-N 1 0 531.598 5.409 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000015827613 553537014 /nfs/dbraw/zinc/53/70/14/553537014.db2.gz MHZBEJNAERCJLB-UHFFFAOYSA-N 1 0 512.654 5.833 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827602 553537020 /nfs/dbraw/zinc/53/70/20/553537020.db2.gz NKQZUGWFRCYMJF-JOCHJYFZSA-N 1 0 524.665 5.833 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827596 553537029 /nfs/dbraw/zinc/53/70/29/553537029.db2.gz CGSVUPQPYUUERU-UHFFFAOYSA-N 1 0 510.638 5.587 50 0 KKAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946553 553544634 /nfs/dbraw/zinc/54/46/34/553544634.db2.gz NRAFOCOAXKZXKP-FQEVSTJZSA-N 1 0 505.684 5.888 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947042 553545055 /nfs/dbraw/zinc/54/50/55/553545055.db2.gz KTCWACBAAIPOFX-RUZDIDTESA-N 1 0 505.640 5.870 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947153 553545184 /nfs/dbraw/zinc/54/51/84/553545184.db2.gz HGTFWVYNDIUXQM-AREMUKBSSA-N 1 0 513.619 5.936 50 0 KKAARO CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc1 ZINC000016042461 553552901 /nfs/dbraw/zinc/55/29/01/553552901.db2.gz SBYRWCGEUZZDJO-GGXMVOPNSA-N 1 0 512.698 5.285 50 0 KKAARO C[C@H](O)C[NH+]1CCC(CN(Cc2coc(-c3ccc(F)cc3)n2)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000069926637 553593523 /nfs/dbraw/zinc/59/35/23/553593523.db2.gz ARUWXZIZWBPGST-FQEVSTJZSA-N 1 0 522.596 5.370 50 0 KKAARO CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CC[NH+](Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070699076 553615549 /nfs/dbraw/zinc/61/55/49/553615549.db2.gz NPTNXTMTIFUQIQ-WLMPYFOXSA-N 1 0 606.767 5.661 50 0 biogenic KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699689 553616923 /nfs/dbraw/zinc/61/69/23/553616923.db2.gz CSMOWFKYSNVKIM-MRPYTORDSA-N 1 0 535.644 5.107 50 0 biogenic KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070701231 553621196 /nfs/dbraw/zinc/62/11/96/553621196.db2.gz CPJHDWYZEVQMHG-OMVUXRBFSA-N 1 0 553.784 6.286 50 0 biogenic KKAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070704878 553624010 /nfs/dbraw/zinc/62/40/10/553624010.db2.gz JLEJNNHBBFNPSP-BAAZAXTHSA-N 1 0 556.460 5.081 50 0 biogenic KKAARO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)C(=O)N32)cc1 ZINC000070705099 553624546 /nfs/dbraw/zinc/62/45/46/553624546.db2.gz NOZANMFZVXKJNL-SMCANUKXSA-N 1 0 589.740 5.998 50 0 biogenic KKAARO O=C(Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000019913580 553633490 /nfs/dbraw/zinc/63/34/90/553633490.db2.gz JHDRQJJHJOIMHX-UHFFFAOYSA-N 1 0 521.064 6.985 50 0 KKAARO Oc1ccccc1[C@@H](CCN1CC[NH+](CC[C@@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000020332695 553639750 /nfs/dbraw/zinc/63/97/50/553639750.db2.gz OWMUFVWZUGNZTR-KYJUHHDHSA-N 1 0 506.690 6.460 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355317 553641452 /nfs/dbraw/zinc/64/14/52/553641452.db2.gz VQVDDNZEEQLZSR-LVEMYBCASA-N 1 0 537.704 6.345 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173309 553645345 /nfs/dbraw/zinc/64/53/45/553645345.db2.gz WBNPBXSTUXIXRN-GFBRJQHFSA-N 1 0 550.124 5.519 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072175084 553645740 /nfs/dbraw/zinc/64/57/40/553645740.db2.gz JONCTUOIKOGBBK-KSXZBKJASA-N 1 0 564.151 5.765 50 0 KKAARO O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020405898 553646074 /nfs/dbraw/zinc/64/60/74/553646074.db2.gz XCXCTADEDYBQGZ-WIABGLAMSA-N 1 0 512.997 5.094 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412842 553647429 /nfs/dbraw/zinc/64/74/29/553647429.db2.gz GCGDEQDQFMMORL-ZZAICPEHSA-N 1 0 519.129 6.361 50 0 biogenic KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000020508494 553667950 /nfs/dbraw/zinc/66/79/50/553667950.db2.gz FJAIBEYEPBUOIH-QLCOJLISSA-N 1 0 521.727 6.085 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508487 553668060 /nfs/dbraw/zinc/66/80/60/553668060.db2.gz XOMYJDZULCAASN-WDYNHAJCSA-N 1 0 530.738 5.461 50 0 KKAARO CCOC(=C/C=c1/s/c(=C/c2sc(-c3ccccc3)c(-c3ccccc3)[n+]2CC)n(CC)c1=O)/C=C1\Sc2ccc(C)cc2N1CC ZINC000080602809 553673096 /nfs/dbraw/zinc/67/30/96/553673096.db2.gz PRJLLVXPRYGHBA-XTOXHQFOSA-N 1 0 678.969 7.944 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000020575577 553675558 /nfs/dbraw/zinc/67/55/58/553675558.db2.gz YIFFTRSWMJBQAZ-UHFFFAOYSA-N 1 0 530.113 5.246 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000085888969 553690340 /nfs/dbraw/zinc/69/03/40/553690340.db2.gz WSLYRMOORJFTQF-PMERELPUSA-N 1 0 727.291 8.857 50 0 biogenic KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727905 553690939 /nfs/dbraw/zinc/69/09/39/553690939.db2.gz BEPMNOXZHSQAHN-JRWMAURKSA-N 1 0 531.644 5.669 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020728021 553690952 /nfs/dbraw/zinc/69/09/52/553690952.db2.gz VBIBFALOLBVVBB-ANYBSYGZSA-N 1 0 529.681 5.376 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C2)CCN1C ZINC000085977445 553692514 /nfs/dbraw/zinc/69/25/14/553692514.db2.gz QAFGBLDGRLFICB-FQLXRVMXSA-N 1 0 638.761 6.868 50 0 KKAARO COc1cccc(/C=C2/Sc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000020734416 553693268 /nfs/dbraw/zinc/69/32/68/553693268.db2.gz RQSYQCPHAFCNSX-MTDXEUNCSA-N 1 0 513.663 5.199 50 0 KKAARO C[N@H+](CCCN(Cc1cccn1C1CCCC1)C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020734465 553693340 /nfs/dbraw/zinc/69/33/40/553693340.db2.gz PLUPUYDPMGCEAO-UHFFFAOYSA-N 1 0 520.709 7.476 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737335 553694320 /nfs/dbraw/zinc/69/43/20/553694320.db2.gz MOCASBAAOYVBGK-ANYBSYGZSA-N 1 0 511.691 5.847 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116145 553697498 /nfs/dbraw/zinc/69/74/98/553697498.db2.gz QVFDTSQHELWKNC-FMQTYCBTSA-N 1 0 507.763 5.680 50 0 KKAARO CCn1c2ccccc2c2cc(NC(=O)CN3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000020766658 553697531 /nfs/dbraw/zinc/69/75/31/553697531.db2.gz RKEBNZHABBIUCH-UHFFFAOYSA-N 1 0 500.646 6.141 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790579 553698095 /nfs/dbraw/zinc/69/80/95/553698095.db2.gz GJHFZSLUXJCFOI-CLJLJLNGSA-N 1 0 531.700 5.337 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020790244 553698110 /nfs/dbraw/zinc/69/81/10/553698110.db2.gz KJRGEHFACVOZQK-YTTGMZPUSA-N 1 0 529.728 6.853 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790587 553698147 /nfs/dbraw/zinc/69/81/47/553698147.db2.gz GJHFZSLUXJCFOI-FTJBHMTQSA-N 1 0 531.700 5.337 50 0 KKAARO O=C1c2cccc3cccc(c32)C(=O)N1CCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020841530 553699138 /nfs/dbraw/zinc/69/91/38/553699138.db2.gz IMXQLWAJNZCCMX-UHFFFAOYSA-N 1 0 503.646 5.623 50 0 KKAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C4)cs1 ZINC000020917318 553703850 /nfs/dbraw/zinc/70/38/50/553703850.db2.gz FGXGPTSTGJRHHO-SUMWQHHRSA-N 1 0 504.603 5.498 50 0 KKAARO C[N@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000021162333 553708570 /nfs/dbraw/zinc/70/85/70/553708570.db2.gz DVMWXUAACHLPDG-UHFFFAOYSA-N 1 0 513.661 5.078 50 0 KKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C3=O)s1 ZINC000021522671 553710200 /nfs/dbraw/zinc/71/02/00/553710200.db2.gz VIIJNUOQAAFSPP-VDZJOXJSSA-N 1 0 526.791 5.687 50 0 KKAARO Fc1ccc(C(CCC[N@H+]2CC=C(Oc3ccc(OCc4ccccc4)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918160 553715071 /nfs/dbraw/zinc/71/50/71/553715071.db2.gz BUDCFLZNBYSVAV-UHFFFAOYSA-N 1 0 525.639 8.125 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000021780847 553716559 /nfs/dbraw/zinc/71/65/59/553716559.db2.gz NOLXMBAQGGRIEN-JWUQWVJQSA-N 1 0 508.707 5.170 50 0 KKAARO C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)C1 ZINC000096021839 553717944 /nfs/dbraw/zinc/71/79/44/553717944.db2.gz GTESPTSWVAZWLZ-DEOSSOPVSA-N 1 0 553.776 5.560 50 0 KKAARO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[NH+](C5c6ccccc6-c6ccccc65)CC4)cc3)sc2c1 ZINC000022033716 553723207 /nfs/dbraw/zinc/72/32/07/553723207.db2.gz BWVYDOSIVYEUDE-UHFFFAOYSA-N 1 0 530.697 6.598 50 0 KKAARO S=c1n(CN2CC[NH+](Cc3ccccc3)CC2)nc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 ZINC000022036783 553723333 /nfs/dbraw/zinc/72/33/33/553723333.db2.gz DIAZRQPDDHOXSX-UHFFFAOYSA-N 1 0 532.138 6.714 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](CCc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000096278282 553734865 /nfs/dbraw/zinc/73/48/65/553734865.db2.gz HPXNEYJNNLQXGK-QLWXXVCSSA-N 1 0 537.792 7.731 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(Cc3ccccc3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000096288632 553740572 /nfs/dbraw/zinc/74/05/72/553740572.db2.gz HBAKTHMRJZMJJJ-UHFFFAOYSA-N 1 0 507.465 5.808 50 0 KKAARO Cc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000096294433 553747800 /nfs/dbraw/zinc/74/78/00/553747800.db2.gz BZAQPXAXRCHJTF-UHFFFAOYSA-N 1 0 508.691 6.336 50 0 KKAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000096298529 553748478 /nfs/dbraw/zinc/74/84/78/553748478.db2.gz LMNHSJQJTVBJIC-LNXLNJASSA-N 1 0 513.597 5.163 50 0 KKAARO Oc1ccccc1[C@H](CCN1CC[NH+](CC[C@@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000022780349 553749987 /nfs/dbraw/zinc/74/99/87/553749987.db2.gz OWMUFVWZUGNZTR-RNPORBBMSA-N 1 0 506.690 6.460 50 0 KKAARO O[C@@H](Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022790417 553750224 /nfs/dbraw/zinc/75/02/24/553750224.db2.gz ZTFQXYHIJMSPAI-MGBGTMOVSA-N 1 0 551.734 7.307 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)OC1(CCCCC1)CC3 ZINC000096343535 553752630 /nfs/dbraw/zinc/75/26/30/553752630.db2.gz YCIUCRDWESOBAM-ZEQKJWHPSA-N 1 0 506.687 5.443 50 0 KKAARO CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022939638 553768497 /nfs/dbraw/zinc/76/84/97/553768497.db2.gz GCCXYZGDCCRVTK-UHFFFAOYSA-N 1 0 503.668 5.148 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCC1CCCC1)[C@@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000023449293 553781724 /nfs/dbraw/zinc/78/17/24/553781724.db2.gz FZLAUZAGWBYPSX-WJOKGBTCSA-N 1 0 503.687 5.952 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc21 ZINC000023450931 553782252 /nfs/dbraw/zinc/78/22/52/553782252.db2.gz FZMLMAVYJVQYCB-OAQYLSRUSA-N 1 0 504.675 5.055 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000097948201 553792004 /nfs/dbraw/zinc/79/20/04/553792004.db2.gz OFECKPXXQXNJLL-UHFFFAOYSA-N 1 0 556.888 5.854 50 0 KKAARO Cc1ccccc1-c1cc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3cc(-c4ccccc4C)nc4ccccc43)CC2)c2ccccc2n1 ZINC000097949254 553800861 /nfs/dbraw/zinc/80/08/61/553800861.db2.gz DTXUFKMQCWBZOR-UHFFFAOYSA-N 1 0 690.892 7.291 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000025578154 553811140 /nfs/dbraw/zinc/81/11/40/553811140.db2.gz MCBGWELZRDYLET-NRFANRHFSA-N 1 0 509.275 6.502 50 0 KKAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027586311 553835500 /nfs/dbraw/zinc/83/55/00/553835500.db2.gz CKFGAUAEGSTIPH-UHFFFAOYSA-N 1 0 503.650 5.933 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000029747436 553847363 /nfs/dbraw/zinc/84/73/63/553847363.db2.gz QRGYYWLOZKHEGL-VWLOTQADSA-N 1 0 543.133 5.192 50 0 KKAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752673 553854331 /nfs/dbraw/zinc/85/43/31/553854331.db2.gz JGOSQKXKPJVRAE-JHOUSYSJSA-N 1 0 567.730 5.002 50 0 KKAARO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283290 553861226 /nfs/dbraw/zinc/86/12/26/553861226.db2.gz DOABYPDJDXYVHO-RUZDIDTESA-N 1 0 511.524 6.155 50 0 KKAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000097963425 553890168 /nfs/dbraw/zinc/89/01/68/553890168.db2.gz VIYWMMCQNUKAEQ-UHFFFAOYSA-N 1 0 568.790 6.074 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963591 553892065 /nfs/dbraw/zinc/89/20/65/553892065.db2.gz DIEHJVXOONBPNV-UHFFFAOYSA-N 1 0 577.813 5.639 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2Cl)cc1 ZINC000033252321 553913905 /nfs/dbraw/zinc/91/39/05/553913905.db2.gz SUVDSQVMHIWOEW-UHFFFAOYSA-N 1 0 506.075 5.251 50 0 KKAARO COc1ccc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000033355771 553936869 /nfs/dbraw/zinc/93/68/69/553936869.db2.gz RJTHNGWTFDMXIM-UHFFFAOYSA-N 1 0 573.738 5.390 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000033356052 553938583 /nfs/dbraw/zinc/93/85/83/553938583.db2.gz WDGKYWQGTQMMMO-UHFFFAOYSA-N 1 0 593.127 5.308 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000033356403 553941050 /nfs/dbraw/zinc/94/10/50/553941050.db2.gz OTUNWRKTTLFLKQ-UHFFFAOYSA-N 1 0 600.989 5.216 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2cc(OC)c(OC)cc2Cl)nc2cc(Cl)ccc21 ZINC000033422100 553959504 /nfs/dbraw/zinc/95/95/04/553959504.db2.gz ZEHGJPVTWNYYHP-HGZMWJMZSA-N 1 0 517.501 7.047 50 0 KKAARO CCCSc1ccccc1N1CC[NH+](CCC[C@H](OC(=O)COc2ccc3c(c2C)CCCC3)c2ccccc2)CC1 ZINC000097973078 553968222 /nfs/dbraw/zinc/96/82/22/553968222.db2.gz JKERCWWPUJPDEY-UMSFTDKQSA-N 1 0 586.842 7.642 50 0 KKAARO Fc1ccc(C(CCC[NH+]2CCC(Sc3ccccc3)(Sc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000097973097 553968268 /nfs/dbraw/zinc/96/82/68/553968268.db2.gz XMHRLGZOXQODLI-UHFFFAOYSA-N 1 0 545.764 9.254 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2ccc(C)cc2)s1 ZINC000033716539 553969817 /nfs/dbraw/zinc/96/98/17/553969817.db2.gz JBISWSCYFQAXIJ-UHFFFAOYSA-N 1 0 536.717 6.053 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2cccc(Cl)c2)o1 ZINC000033861873 553975400 /nfs/dbraw/zinc/97/54/00/553975400.db2.gz JBCKZBJDXKXCCS-UHFFFAOYSA-N 1 0 537.104 5.833 50 0 KKAARO COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000034657172 553981824 /nfs/dbraw/zinc/98/18/24/553981824.db2.gz RVGUTXYKHMDBPX-GOXGLGGOSA-N 1 0 524.661 6.009 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671834 553982649 /nfs/dbraw/zinc/98/26/49/553982649.db2.gz SJICJDFQSJIVDR-BNHRFMORSA-N 1 0 508.637 6.366 50 0 KKAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000034682879 553985553 /nfs/dbraw/zinc/98/55/53/553985553.db2.gz CSAJEQXXLVDTFY-UHFFFAOYSA-N 1 0 528.571 6.043 50 0 KKAARO COc1ccc(C[N@H+](C[C@@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697101 553991188 /nfs/dbraw/zinc/99/11/88/553991188.db2.gz FMRDMGHVPJEUGY-MUUNZHRXSA-N 1 0 526.605 5.157 50 0 KKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)o1 ZINC000034699118 553992044 /nfs/dbraw/zinc/99/20/44/553992044.db2.gz CNTXCCWOMMLYHD-KCWPFWIISA-N 1 0 516.579 6.760 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699137 553992414 /nfs/dbraw/zinc/99/24/14/553992414.db2.gz ZPDPGUJIQJJTSK-ZEQKJWHPSA-N 1 0 500.630 6.781 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699150 553992453 /nfs/dbraw/zinc/99/24/53/553992453.db2.gz XSLRPMKHGXJIJI-RPLLCQBOSA-N 1 0 504.612 6.991 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699361 553992706 /nfs/dbraw/zinc/99/27/06/553992706.db2.gz YIPQTEYEQKRBKX-SHQCIBLASA-N 1 0 514.563 6.117 50 0 KKAARO Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716781 553995631 /nfs/dbraw/zinc/99/56/31/553995631.db2.gz QOWNPVISDLPHGN-NSOVKSMOSA-N 1 0 503.637 5.223 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034723968 553996493 /nfs/dbraw/zinc/99/64/93/553996493.db2.gz FSBFNDYYSPDMJP-UHFFFAOYSA-N 1 0 519.089 5.267 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830073 554014342 /nfs/dbraw/zinc/01/43/42/554014342.db2.gz JYPNYUVXDPUTTN-MHZLTWQESA-N 1 0 508.087 5.114 50 0 KKAARO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830209 554014762 /nfs/dbraw/zinc/01/47/62/554014762.db2.gz KJVJFTYMPTXSBF-RNAHPLFWSA-N 1 0 515.723 5.259 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830233 554014892 /nfs/dbraw/zinc/01/48/92/554014892.db2.gz FXLFMUCVTSVBQR-GDLZYMKVSA-N 1 0 501.696 5.077 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830256 554015288 /nfs/dbraw/zinc/01/52/88/554015288.db2.gz ZRLFWKYXLLYDCH-LYZGTLIUSA-N 1 0 522.114 5.421 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830414 554015814 /nfs/dbraw/zinc/01/58/14/554015814.db2.gz QLBLTERBNPVWOT-QVNGGLPSSA-N 1 0 529.750 5.647 50 0 KKAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830586 554016440 /nfs/dbraw/zinc/01/64/40/554016440.db2.gz QFHVEBHURJSVJE-KMRXNPHXSA-N 1 0 520.674 5.298 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832217 554018013 /nfs/dbraw/zinc/01/80/13/554018013.db2.gz NZVYBIPWFPMIKZ-UHFFFAOYSA-N 1 0 502.707 5.711 50 0 KKAARO COc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000034832965 554018317 /nfs/dbraw/zinc/01/83/17/554018317.db2.gz LLGVLEYUYWHLFA-UHFFFAOYSA-N 1 0 531.660 5.775 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834384 554018930 /nfs/dbraw/zinc/01/89/30/554018930.db2.gz VMUUNDPVPBMQEB-UHFFFAOYSA-N 1 0 501.719 5.528 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034835012 554019220 /nfs/dbraw/zinc/01/92/20/554019220.db2.gz ULFDVYOTBKNBRI-XMMPIXPASA-N 1 0 509.698 5.917 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)c1cccs1 ZINC000034835321 554019520 /nfs/dbraw/zinc/01/95/20/554019520.db2.gz UYDPZUONZBLYNR-UHFFFAOYSA-N 1 0 511.711 5.464 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034835385 554019566 /nfs/dbraw/zinc/01/95/66/554019566.db2.gz UICIEIHFAJXUDO-UHFFFAOYSA-N 1 0 526.100 5.810 50 0 KKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000034835738 554019945 /nfs/dbraw/zinc/01/99/45/554019945.db2.gz IGARHYJAOBEEJU-UHFFFAOYSA-N 1 0 505.682 5.463 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc4ccccc4c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835621 554019952 /nfs/dbraw/zinc/01/99/52/554019952.db2.gz DQDRRQFYCOETOR-UHFFFAOYSA-N 1 0 511.645 5.420 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899133 554023921 /nfs/dbraw/zinc/02/39/21/554023921.db2.gz SXXSYXTZECCWKB-SJORKVTESA-N 1 0 516.530 5.645 50 0 KKAARO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000034912193 554029488 /nfs/dbraw/zinc/02/94/88/554029488.db2.gz GEMNUZOELKNGCY-UHFFFAOYSA-N 1 0 519.530 5.053 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397209 554047878 /nfs/dbraw/zinc/04/78/78/554047878.db2.gz PWZLXINUKHQEDR-UHFFFAOYSA-N 1 0 527.532 5.958 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCC[NH+]1CCCC1 ZINC000035471944 554056319 /nfs/dbraw/zinc/05/63/19/554056319.db2.gz ODZSWPJPXMVVBV-HHHXNRCGSA-N 1 0 504.049 6.216 50 0 KKAARO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005136 554057180 /nfs/dbraw/zinc/05/71/80/554057180.db2.gz UADHIWRARGSSJD-UHFFFAOYSA-N 1 0 532.060 5.473 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1 ZINC000098005995 554060233 /nfs/dbraw/zinc/06/02/33/554060233.db2.gz FQFGVFBAQWMFLS-UHFFFAOYSA-N 1 0 539.602 5.150 50 0 KKAARO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005993 554060273 /nfs/dbraw/zinc/06/02/73/554060273.db2.gz KMHYZAIQYYMDLL-BCTPLOOPSA-N 1 0 543.634 5.279 50 0 KKAARO O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006302 554061038 /nfs/dbraw/zinc/06/10/38/554061038.db2.gz NBCCFNSLZHUQMC-UHFFFAOYSA-N 1 0 535.614 5.240 50 0 KKAARO CC[NH+](CC)CCCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1COc1ccc(OC)cc1 ZINC000098007937 554064772 /nfs/dbraw/zinc/06/47/72/554064772.db2.gz QXSIHBFAIUWLGK-UHFFFAOYSA-N 1 0 533.463 5.426 50 0 KKAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840647 554080412 /nfs/dbraw/zinc/08/04/12/554080412.db2.gz CIJLPTXUZLNAFG-GDLZYMKVSA-N 1 0 504.715 6.417 50 0 KKAARO Cn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891745 554090926 /nfs/dbraw/zinc/09/09/26/554090926.db2.gz TUQIKDLLJBALHE-MHZLTWQESA-N 1 0 519.611 6.500 50 0 KKAARO C[NH+](C)CCNC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000098015067 554095575 /nfs/dbraw/zinc/09/55/75/554095575.db2.gz SYHZMKZDLYDAKJ-UHFFFAOYSA-N 1 0 570.738 5.193 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000098019646 554113505 /nfs/dbraw/zinc/11/35/05/554113505.db2.gz WIULYDOSOBJBPZ-UHFFFAOYSA-N 1 0 542.507 5.704 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000098019689 554113855 /nfs/dbraw/zinc/11/38/55/554113855.db2.gz JUDRIJYYHXAOKZ-UHFFFAOYSA-N 1 0 568.114 5.068 50 0 KKAARO Cc1cccc(OCc2nc(CN(CC[NH+]3CCCC3)C(=O)c3cccc(Br)c3)cs2)c1C ZINC000036031724 554145185 /nfs/dbraw/zinc/14/51/85/554145185.db2.gz CVQMSQJYXNHPHN-UHFFFAOYSA-N 1 0 528.516 5.840 50 0 KKAARO Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000098048085 554159237 /nfs/dbraw/zinc/15/92/37/554159237.db2.gz QFWIOXJIVLAOOM-UHFFFAOYSA-N 1 0 563.749 7.516 50 0 KKAARO O[C@@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000098048278 554160962 /nfs/dbraw/zinc/16/09/62/554160962.db2.gz YHXXIAXXNPTXAA-UUWRZZSWSA-N 1 0 556.794 9.457 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000036075094 554174178 /nfs/dbraw/zinc/17/41/78/554174178.db2.gz GGWTWTKBWQQGBO-OENWMMNHSA-N 1 0 533.713 5.092 50 0 KKAARO Cc1csc2nc(C[NH+](Cc3cc(=O)n4c(C)csc4n3)[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000098050547 554175162 /nfs/dbraw/zinc/17/51/62/554175162.db2.gz NUDJBCRSLSOQBV-CBKZDSQWSA-N 1 0 535.739 5.049 50 0 KKAARO Cc1csc2nc(C[NH+](Cc3cc(=O)n4c(C)csc4n3)[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000098050548 554175213 /nfs/dbraw/zinc/17/52/13/554175213.db2.gz NUDJBCRSLSOQBV-DKODJIDWSA-N 1 0 535.739 5.049 50 0 KKAARO CC(C)c1ccccc1OCc1nc(CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)cc2)cs1 ZINC000036116618 554181911 /nfs/dbraw/zinc/18/19/11/554181911.db2.gz WIXUFFAKLUTJQT-UHFFFAOYSA-N 1 0 512.119 6.627 50 0 KKAARO Cc1ccccc1-n1c(=O)c2c(nc1SCC(=O)c1ccc(Br)cc1)sc1c2CCN(Cc2ccccc2)C1 ZINC000100062040 554199008 /nfs/dbraw/zinc/19/90/08/554199008.db2.gz SENTVRXRQHFYGR-UHFFFAOYSA-N 1 0 616.606 7.051 50 0 KKAARO Cc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000036203246 554201055 /nfs/dbraw/zinc/20/10/55/554201055.db2.gz IMFHNUOKKPMJII-NDEPHWFRSA-N 1 0 503.589 6.332 50 0 KKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(OC)c1 ZINC000036203406 554201232 /nfs/dbraw/zinc/20/12/32/554201232.db2.gz JCJALPWIIXKELC-UHFFFAOYSA-N 1 0 501.623 6.002 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3cc(OC)cc(OC)c3)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036203681 554201294 /nfs/dbraw/zinc/20/12/94/554201294.db2.gz AXHRQQCYYBLKGZ-UHFFFAOYSA-N 1 0 531.649 6.009 50 0 KKAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301715 554211784 /nfs/dbraw/zinc/21/17/84/554211784.db2.gz DMTHSWOYGWSFSY-QHCPKHFHSA-N 1 0 500.039 5.244 50 0 KKAARO Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036301901 554211900 /nfs/dbraw/zinc/21/19/00/554211900.db2.gz RLQAOBIKYFYYJR-MHZLTWQESA-N 1 0 502.058 6.442 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036303973 554213804 /nfs/dbraw/zinc/21/38/04/554213804.db2.gz QIYCJSKFJZHTPJ-DEOSSOPVSA-N 1 0 501.618 5.743 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036303585 554213890 /nfs/dbraw/zinc/21/38/90/554213890.db2.gz XSYUWKVVUQOOHB-AREMUKBSSA-N 1 0 502.058 6.442 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)(C)C ZINC000036305095 554214859 /nfs/dbraw/zinc/21/48/59/554214859.db2.gz ZRYDXWWGXNPSPI-JOCHJYFZSA-N 1 0 502.055 5.157 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000036305076 554214987 /nfs/dbraw/zinc/21/49/87/554214987.db2.gz AQDSWDLEBJLJAR-RUZDIDTESA-N 1 0 506.046 5.585 50 0 KKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307641 554216130 /nfs/dbraw/zinc/21/61/30/554216130.db2.gz CPGBYFWCJTYAOY-SANMLTNESA-N 1 0 503.618 5.808 50 0 KKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340984 554220066 /nfs/dbraw/zinc/22/00/66/554220066.db2.gz DQWNRZBBTOMEAH-PMERELPUSA-N 1 0 500.086 6.589 50 0 KKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341059 554220514 /nfs/dbraw/zinc/22/05/14/554220514.db2.gz QXVOUYIDCYOXQE-GDLZYMKVSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341697 554220943 /nfs/dbraw/zinc/22/09/43/554220943.db2.gz XNZYUGDBMCDATE-HKBQPEDESA-N 1 0 525.693 5.953 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343245 554221653 /nfs/dbraw/zinc/22/16/53/554221653.db2.gz DONNZCDDZIMYKM-PMERELPUSA-N 1 0 527.665 5.345 50 0 KKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(COc2ccc(I)cc2)o1 ZINC000036611127 554225445 /nfs/dbraw/zinc/22/54/45/554225445.db2.gz WDIXCVTWVAOIPV-UHFFFAOYSA-N 1 0 516.379 5.701 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C)cc1 ZINC000037379007 554236183 /nfs/dbraw/zinc/23/61/83/554236183.db2.gz WXNWEJWELBDWKH-DHIFEGFHSA-N 1 0 509.738 7.147 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C)cc1 ZINC000037379010 554236336 /nfs/dbraw/zinc/23/63/36/554236336.db2.gz WXNWEJWELBDWKH-DLFZDVPBSA-N 1 0 509.738 7.147 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cc1)NCC[NH+]1CCCC1 ZINC000037380616 554237482 /nfs/dbraw/zinc/23/74/82/554237482.db2.gz JWJJCVTWHFUVEQ-MHZLTWQESA-N 1 0 519.611 6.442 50 0 KKAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc21 ZINC000038139118 554259126 /nfs/dbraw/zinc/25/91/26/554259126.db2.gz DIPWHFAOFXKWHR-UHFFFAOYSA-N 1 0 564.733 5.045 50 0 KKAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000038144531 554265918 /nfs/dbraw/zinc/26/59/18/554265918.db2.gz LWBCUJPANRADFK-GOSISDBHSA-N 1 0 579.586 5.220 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(OC)cc2s1 ZINC000038144539 554266190 /nfs/dbraw/zinc/26/61/90/554266190.db2.gz PJJMTUGHZOQNNT-UHFFFAOYSA-N 1 0 558.770 5.247 50 0 KKAARO CN1c2c(ccc3ccccc23)C(C)(C)/C1=C\C=C1/CCCC(/C=C/C2=[N+](C)c3c(ccc4ccccc34)C2(C)C)=C1Cl ZINC000100265794 554266982 /nfs/dbraw/zinc/26/69/82/554266982.db2.gz XGKYRNLJZBRBLT-UHFFFAOYSA-N 1 0 584.227 10.470 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000038146807 554269849 /nfs/dbraw/zinc/26/98/49/554269849.db2.gz SQKDINORIMCUSU-CHZMNLISSA-N 1 0 533.669 5.005 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C2)CCN1C ZINC000044281335 554301502 /nfs/dbraw/zinc/30/15/02/554301502.db2.gz QAFGBLDGRLFICB-VMPREFPWSA-N 1 0 638.761 6.868 50 0 biogenic KKAARO CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@@H]([C@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329625 554311806 /nfs/dbraw/zinc/31/18/06/554311806.db2.gz SFFJARIKISDPGV-MUFAAYGBSA-N 1 0 534.660 5.738 50 0 KKAARO CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@@H]([C@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329629 554311828 /nfs/dbraw/zinc/31/18/28/554311828.db2.gz SFFJARIKISDPGV-CFNXAKABSA-N 1 0 534.660 5.738 50 0 KKAARO CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329619 554311895 /nfs/dbraw/zinc/31/18/95/554311895.db2.gz SFFJARIKISDPGV-SACWQSLWSA-N 1 0 534.660 5.738 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912789 554313958 /nfs/dbraw/zinc/31/39/58/554313958.db2.gz PWAXRYOYRVNIFA-UHFFFAOYSA-N 1 0 506.672 5.098 50 0 KKAARO COc1ccc(NC(=O)CSc2nc3ccccc3c3nc(CCn4c(C)nc5ccccc54)nn32)cc1Cl ZINC000050861786 554328123 /nfs/dbraw/zinc/32/81/23/554328123.db2.gz PFFUBCPMXPDIOQ-UHFFFAOYSA-N 1 0 558.067 5.571 50 0 KKAARO O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000052537570 554329660 /nfs/dbraw/zinc/32/96/60/554329660.db2.gz LFRDRCKLMOROIW-UHFFFAOYSA-N 1 0 520.913 6.700 50 0 KKAARO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000055760827 554351028 /nfs/dbraw/zinc/35/10/28/554351028.db2.gz QQWUGDVOUVUTOY-UHFFFAOYSA-N 1 0 614.216 5.024 50 0 in-vivo KKAARO CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057061371 554352435 /nfs/dbraw/zinc/35/24/35/554352435.db2.gz COALJMBDKOLDLO-UHFFFAOYSA-N 1 0 501.656 5.551 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000057222685 554352751 /nfs/dbraw/zinc/35/27/51/554352751.db2.gz MHPOEGPMUXTEPY-UHFFFAOYSA-N 1 0 515.654 5.110 50 0 KKAARO CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057251255 554353423 /nfs/dbraw/zinc/35/34/23/554353423.db2.gz SOUBSWFNVWYCRZ-UHFFFAOYSA-N 1 0 502.684 5.315 50 0 KKAARO C(/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000059075699 554372133 /nfs/dbraw/zinc/37/21/33/554372133.db2.gz CTLTYYLEZRIYPO-UHFFFAOYSA-N 1 0 535.757 11.132 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000100404926 554373204 /nfs/dbraw/zinc/37/32/04/554373204.db2.gz QZAUEXUBAQSWIE-UHFFFAOYSA-N 1 0 554.499 6.569 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1OC ZINC000059745819 554427891 /nfs/dbraw/zinc/42/78/91/554427891.db2.gz IACKDFUKVOKKHZ-UHFFFAOYSA-N 1 0 534.582 6.091 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785524 554430226 /nfs/dbraw/zinc/43/02/26/554430226.db2.gz QYQDPBFSISDNBS-RHDHJKTESA-N 1 0 527.624 5.417 50 0 KKAARO Cc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)sc1-c1cc(C(C)(C)C)[s+]c(C(C)(C)C)c1 ZINC000100698057 554451055 /nfs/dbraw/zinc/45/10/55/554451055.db2.gz ANZJTQJDIHWUFF-UHFFFAOYSA-N 1 0 547.853 11.044 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3ccc(Cl)cc3s2)cc1 ZINC000060209798 554503646 /nfs/dbraw/zinc/50/36/46/554503646.db2.gz XNTLKJXMZUMQRY-UHFFFAOYSA-N 1 0 571.168 6.154 50 0 KKAARO CCCCOc1ccc([C@](O)(CCCC)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515018 554509755 /nfs/dbraw/zinc/50/97/55/554509755.db2.gz KEVZOGUKXGKGJX-CZNDPXEESA-N 1 0 518.717 6.988 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000064261563 554510687 /nfs/dbraw/zinc/51/06/87/554510687.db2.gz HZGVYCKFXUCJKR-YUAYSCSESA-N 1 0 583.368 6.011 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000064474568 554511274 /nfs/dbraw/zinc/51/12/74/554511274.db2.gz GKTHXUARCGQNLZ-UHFFFAOYSA-N 1 0 531.650 5.197 50 0 KKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000100901502 554514695 /nfs/dbraw/zinc/51/46/95/554514695.db2.gz PCMHPBPQXXZIHL-UHFFFAOYSA-N 1 0 556.636 6.446 50 0 KKAARO c1ccc(COC[C@H]2[NH2+]C[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000064859406 554518778 /nfs/dbraw/zinc/51/87/78/554518778.db2.gz HHIIDKLQTCPFQA-KMKAFXEASA-N 1 0 523.673 5.931 50 0 in-vitro KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975232 554546850 /nfs/dbraw/zinc/54/68/50/554546850.db2.gz PGAMAJHGBBLEKD-NKVKBKOUSA-N 1 0 546.523 7.743 50 0 KKAARO COc1cccc(C2=NN3[C@H](C2)c2cc(Br)cc(OC)c2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000100989558 554549951 /nfs/dbraw/zinc/54/99/51/554549951.db2.gz WGLSVYNUFYWTNP-AREMUKBSSA-N 1 0 548.481 6.002 50 0 KKAARO Brc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)s1 ZINC000101092065 554583037 /nfs/dbraw/zinc/58/30/37/554583037.db2.gz AIVPMULFOXYNJZ-NRFANRHFSA-N 1 0 573.354 6.809 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101097693 554584921 /nfs/dbraw/zinc/58/49/21/554584921.db2.gz DRODPMXUIYNOSH-XHLNEMQHSA-N 1 0 574.519 5.287 50 0 KKAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000101098389 554585111 /nfs/dbraw/zinc/58/51/11/554585111.db2.gz JFMFRBMMRMGZHJ-UHFFFAOYSA-N 1 0 553.545 5.263 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000101193512 554671596 /nfs/dbraw/zinc/67/15/96/554671596.db2.gz NOLXMZBBJAIESJ-UHFFFAOYSA-N 1 0 552.458 7.199 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202413 554673097 /nfs/dbraw/zinc/67/30/97/554673097.db2.gz QAXXBALSFDMBLS-KBBGZRRDSA-N 1 0 605.607 5.044 50 0 biogenic KKAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000101216275 554683225 /nfs/dbraw/zinc/68/32/25/554683225.db2.gz BJCMEXIXRUNJSQ-NDEPHWFRSA-N 1 0 626.223 5.744 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216576 554683990 /nfs/dbraw/zinc/68/39/90/554683990.db2.gz QCJHFCOEPVAQCN-NDEPHWFRSA-N 1 0 610.155 5.031 50 0 KKAARO Cc1cc(N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000101248989 554693833 /nfs/dbraw/zinc/69/38/33/554693833.db2.gz TXJZTKVNHCTOAN-UHFFFAOYSA-N 1 0 533.573 6.646 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1Cl ZINC000101254203 554694694 /nfs/dbraw/zinc/69/46/94/554694694.db2.gz RLMRHZGBIQIDEH-QFIPXVFZSA-N 1 0 549.524 5.065 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254726 554695552 /nfs/dbraw/zinc/69/55/52/554695552.db2.gz XBXIPHVEONRTFW-MUUNZHRXSA-N 1 0 566.768 5.327 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254739 554695577 /nfs/dbraw/zinc/69/55/77/554695577.db2.gz CEQNJSRCNWUXDD-AREMUKBSSA-N 1 0 557.160 5.582 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299268 554712798 /nfs/dbraw/zinc/71/27/98/554712798.db2.gz XFAQETCWONQQOS-BSKIJULFSA-N 1 0 550.942 8.388 50 0 KKAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340995 554735396 /nfs/dbraw/zinc/73/53/96/554735396.db2.gz NMSYDVRHSNRGCB-LJAQVGFWSA-N 1 0 569.768 5.055 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101366820 554743987 /nfs/dbraw/zinc/74/39/87/554743987.db2.gz HKLDPCDOBCAEMP-RJYGDKEGSA-N 1 0 535.644 5.107 50 0 KKAARO CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc21 ZINC000101373605 554745575 /nfs/dbraw/zinc/74/55/75/554745575.db2.gz SBSYKTDFAMICOT-SWKFRHMKSA-N 1 0 543.708 6.010 50 0 KKAARO COc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)c1 ZINC000101374340 554745817 /nfs/dbraw/zinc/74/58/17/554745817.db2.gz INPADJKVPRLOQC-CEUNXORHSA-N 1 0 577.150 5.400 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386118 554751290 /nfs/dbraw/zinc/75/12/90/554751290.db2.gz BHRDUEIPRGSBCH-CPBHLAHYSA-N 1 0 595.788 6.397 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386194 554751488 /nfs/dbraw/zinc/75/14/88/554751488.db2.gz LINHNLOWQAVSJX-WJVKJDHCSA-N 1 0 640.800 6.894 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386225 554751501 /nfs/dbraw/zinc/75/15/01/554751501.db2.gz XAPJFJSMPHQWMJ-DYKQPOOOSA-N 1 0 647.864 6.575 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386217 554751512 /nfs/dbraw/zinc/75/15/12/554751512.db2.gz WSBIQQVSWDVMMP-MFACQUFMSA-N 1 0 604.839 7.663 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391600 554755022 /nfs/dbraw/zinc/75/50/22/554755022.db2.gz XOOCRHPVAVPKRB-MVSFAKPFSA-N 1 0 576.619 5.538 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391693 554755406 /nfs/dbraw/zinc/75/54/06/554755406.db2.gz IQGLJKGZLRIGOW-IAPPQJPRSA-N 1 0 539.001 6.015 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416165 554765018 /nfs/dbraw/zinc/76/50/18/554765018.db2.gz PPCMALZIYYSYRX-UHFFFAOYSA-N 1 0 559.732 5.293 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@@H]3C(=O)N(Cc4ccccc4)[C@@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425303 554768206 /nfs/dbraw/zinc/76/82/06/554768206.db2.gz UDQXSPFYAMNBHL-QVWWMRLHSA-N 1 0 578.761 5.016 50 0 KKAARO CC[N@H+](CCCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000101440885 554773164 /nfs/dbraw/zinc/77/31/64/554773164.db2.gz KQXUVOTYENPNKJ-UHFFFAOYSA-N 1 0 558.082 5.181 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)CC3)nc2cc1Br ZINC000101448727 554775130 /nfs/dbraw/zinc/77/51/30/554775130.db2.gz QVKSKPSNJNOXDU-QZTJIDSGSA-N 1 0 537.568 5.443 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)CC3)nc2cc1Br ZINC000101448724 554775209 /nfs/dbraw/zinc/77/52/09/554775209.db2.gz QVKSKPSNJNOXDU-ROUUACIJSA-N 1 0 537.568 5.443 50 0 KKAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000101492881 554786367 /nfs/dbraw/zinc/78/63/67/554786367.db2.gz PDUKGMFFDLBBAP-FMIVXFBMSA-N 1 0 594.753 5.030 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506511 554790173 /nfs/dbraw/zinc/79/01/73/554790173.db2.gz ZJISQHVSLPUHLP-NQUVTRGKSA-N 1 0 583.842 8.006 50 0 KKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)C1CCCCC1 ZINC000101506319 554790201 /nfs/dbraw/zinc/79/02/01/554790201.db2.gz WWZYXVHFYPUPEF-BUKTXJAASA-N 1 0 595.853 8.146 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)C2=O)c1 ZINC000101506378 554790214 /nfs/dbraw/zinc/79/02/14/554790214.db2.gz VZIUJJUFRSEIFC-SWYPQDCYSA-N 1 0 567.799 7.081 50 0 KKAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)C1CCCCC1 ZINC000101506565 554790404 /nfs/dbraw/zinc/79/04/04/554790404.db2.gz DFDIEPQRYGBSCM-KGKFUBNFSA-N 1 0 565.758 7.125 50 0 KKAARO CC[N@H+](CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)Cc1ccccc1 ZINC000101506668 554790660 /nfs/dbraw/zinc/79/06/60/554790660.db2.gz JGKOTIRCZOYIDI-JGRMKTMXSA-N 1 0 559.710 6.604 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)ccc3S/C(=C/c3ccccc3)C2=O)c1 ZINC000101507242 554791115 /nfs/dbraw/zinc/79/11/15/554791115.db2.gz BVNQKESKFFRPIT-WEMUVCOSSA-N 1 0 551.756 6.766 50 0 KKAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)C3)nc2c(C)c1 ZINC000101584091 554801490 /nfs/dbraw/zinc/80/14/90/554801490.db2.gz AXTBZVXRVKFGRL-QHCPKHFHSA-N 1 0 540.177 5.420 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101618203 554806634 /nfs/dbraw/zinc/80/66/34/554806634.db2.gz PKYUEYFDSJUJFQ-XZWHSSHBSA-N 1 0 560.764 5.022 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101618673 554806687 /nfs/dbraw/zinc/80/66/87/554806687.db2.gz FXZDDLBXFPVEOS-AJQTZOPKSA-N 1 0 570.803 5.917 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000101622835 554810344 /nfs/dbraw/zinc/81/03/44/554810344.db2.gz MZHCOPLNARTXDR-WPHQEQLXSA-N 1 0 551.131 5.202 50 0 KKAARO CSc1cccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c1 ZINC000101634071 554812422 /nfs/dbraw/zinc/81/24/22/554812422.db2.gz LAOOYVNJOIURJG-UHFFFAOYSA-N 1 0 546.140 6.296 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000101637658 554813668 /nfs/dbraw/zinc/81/36/68/554813668.db2.gz MIEBKHVFUYCWQJ-TZGBDOIBSA-N 1 0 553.772 7.059 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637508 554813694 /nfs/dbraw/zinc/81/36/94/554813694.db2.gz QEPHRFFVCNSZOH-KAUHDDEISA-N 1 0 574.190 7.404 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)Cc1ccccc1 ZINC000101637586 554813701 /nfs/dbraw/zinc/81/37/01/554813701.db2.gz BCQFDDBSNHZIOV-VZUYHUTRSA-N 1 0 614.211 7.089 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637688 554813703 /nfs/dbraw/zinc/81/37/03/554813703.db2.gz WJFUKFORLFMURE-UHFFFAOYSA-N 1 0 600.140 5.728 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1c(F)ccc(F)c1Cl ZINC000101661583 554821834 /nfs/dbraw/zinc/82/18/34/554821834.db2.gz AIKZMIRYDJVQOT-UHFFFAOYSA-N 1 0 562.970 6.735 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101671713 554825114 /nfs/dbraw/zinc/82/51/14/554825114.db2.gz UPWSJIGLLFTRFO-CXNUKBDRSA-N 1 0 556.618 5.686 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000101677125 554828091 /nfs/dbraw/zinc/82/80/91/554828091.db2.gz QEHSTCSMJKANMO-SANMLTNESA-N 1 0 538.692 6.365 50 0 KKAARO CCOCCCNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101772149 554837632 /nfs/dbraw/zinc/83/76/32/554837632.db2.gz FDCLTQJSGAKQFO-LITSAYRRSA-N 1 0 560.705 5.041 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000101787210 554838791 /nfs/dbraw/zinc/83/87/91/554838791.db2.gz RVTBAOWWGQDZFJ-UHFFFAOYSA-N 1 0 555.744 6.054 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101979354 554863621 /nfs/dbraw/zinc/86/36/21/554863621.db2.gz YDXLFGZOYLHKAQ-JSOSNVBQSA-N 1 0 541.761 6.308 50 0 KKAARO COc1cccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)c1 ZINC000101996393 554865354 /nfs/dbraw/zinc/86/53/54/554865354.db2.gz PCRRVIOGEAXITO-UHFFFAOYSA-N 1 0 557.535 5.688 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102047350 554870187 /nfs/dbraw/zinc/87/01/87/554870187.db2.gz AVJIVJWWPVSFBQ-UHFFFAOYSA-N 1 0 595.632 6.659 50 0 KKAARO COc1ccc(NC(=O)CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000102079416 554875746 /nfs/dbraw/zinc/87/57/46/554875746.db2.gz DIQQJXVCHIVYIY-SETSBSEESA-N 1 0 565.133 5.919 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)N3)C1 ZINC000102100523 554881514 /nfs/dbraw/zinc/88/15/14/554881514.db2.gz XUUITGJTCCCAAA-JOCHJYFZSA-N 1 0 532.449 6.090 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000102102970 554882019 /nfs/dbraw/zinc/88/20/19/554882019.db2.gz BEUCYLDGULLRKH-HKBQPEDESA-N 1 0 569.790 6.435 50 0 KKAARO Cc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102988 554882077 /nfs/dbraw/zinc/88/20/77/554882077.db2.gz QKIXGMXKLACKEF-YTTGMZPUSA-N 1 0 583.817 6.743 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc2)C1=O ZINC000102103604 554882388 /nfs/dbraw/zinc/88/23/88/554882388.db2.gz GEDPXEOFGQGQGP-QNKGDIEWSA-N 1 0 569.815 7.409 50 0 KKAARO O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102148300 554889480 /nfs/dbraw/zinc/88/94/80/554889480.db2.gz QYRGTAIRNJFEQJ-UHFFFAOYSA-N 1 0 567.435 6.846 50 0 KKAARO CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000102189964 554894089 /nfs/dbraw/zinc/89/40/89/554894089.db2.gz RYXIRZANZNUIEV-SETSBSEESA-N 1 0 569.716 5.547 50 0 KKAARO CCOc1ccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102367917 554915775 /nfs/dbraw/zinc/91/57/75/554915775.db2.gz JCWAMAURPBBMLR-GIGWZHCTSA-N 1 0 559.711 5.185 50 0 KKAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000102406834 554921322 /nfs/dbraw/zinc/92/13/22/554921322.db2.gz QEOUOYGEZKOPTR-UHFFFAOYSA-N 1 0 559.464 5.043 50 0 KKAARO COc1cc(CNC(=O)CC[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]2[NH+](C)C)cc(OC)c1OC ZINC000102418161 554925080 /nfs/dbraw/zinc/92/50/80/554925080.db2.gz JCSRBVUJZRZHGZ-MFMCTBQISA-N 1 0 559.751 5.193 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000102454337 554933930 /nfs/dbraw/zinc/93/39/30/554933930.db2.gz XCPRQOIAEBAVPK-TYZGFQJPSA-N 1 0 586.555 7.208 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102530558 554953551 /nfs/dbraw/zinc/95/35/51/554953551.db2.gz MHKOVORKDBZYRI-SSEXGKCCSA-N 1 0 590.746 5.014 50 0 KKAARO COc1ccc(CCN(Cc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)Cc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000102634056 554990122 /nfs/dbraw/zinc/99/01/22/554990122.db2.gz MYKJIZPUPIRNNL-HHHXNRCGSA-N 1 0 621.803 7.475 50 0 KKAARO CN(Cc1ccccc1)C(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102633565 554990232 /nfs/dbraw/zinc/99/02/32/554990232.db2.gz RKWQSKVIAVYPST-QCENPCRXSA-N 1 0 579.711 5.552 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COc1ccc(Cl)cc1)[C@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000102661043 555000495 /nfs/dbraw/zinc/00/04/95/555000495.db2.gz BTUTVRKIIZGCDC-HKBQPEDESA-N 1 0 548.083 5.714 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000102661993 555000930 /nfs/dbraw/zinc/00/09/30/555000930.db2.gz BMCBCCFWKZJUHQ-WJOKGBTCSA-N 1 0 620.234 6.469 50 0 KKAARO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102665728 555001701 /nfs/dbraw/zinc/00/17/01/555001701.db2.gz HTVNOZMEKLYJJG-MRPYTORDSA-N 1 0 513.597 5.163 50 0 KKAARO CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)c2cccc(Cl)c2)cc1 ZINC000102683896 555006653 /nfs/dbraw/zinc/00/66/53/555006653.db2.gz CAHZLTPNMRGWTH-LJAQVGFWSA-N 1 0 580.194 6.268 50 0 KKAARO O=c1c2sc3ccccc3c2nc(SCc2cccc(Cl)c2)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000102727075 555022053 /nfs/dbraw/zinc/02/20/53/555022053.db2.gz JXIJUCMDTCZOLV-UHFFFAOYSA-N 1 0 532.134 7.394 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)N2[C@@H]1c1ccccc1F ZINC000102745414 555037202 /nfs/dbraw/zinc/03/72/02/555037202.db2.gz DLOIDXSKXKXMNZ-MUUNZHRXSA-N 1 0 548.684 5.135 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)CCc1ccccc1 ZINC000102766765 555055522 /nfs/dbraw/zinc/05/55/22/555055522.db2.gz QRFAKLSAJOANHL-XHPQRKPJSA-N 1 0 539.623 5.476 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000102775043 555062730 /nfs/dbraw/zinc/06/27/30/555062730.db2.gz ZDOBPVLKWVHRGQ-BOJFNEGLSA-N 1 0 542.543 5.700 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000102780334 555065812 /nfs/dbraw/zinc/06/58/12/555065812.db2.gz SOGWMXYRCCDUFM-SWKFRHMKSA-N 1 0 543.708 6.502 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102780771 555066026 /nfs/dbraw/zinc/06/60/26/555066026.db2.gz ZPTWWFUWWUIMJG-XWHJVHIDSA-N 1 0 557.735 6.890 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(/C=C4\Sc5ccccc5N(Cc5ccccc5F)C4=O)cc3)CC2)c1 ZINC000102788287 555068265 /nfs/dbraw/zinc/06/82/65/555068265.db2.gz XKGZWATZBSEZOW-LAKKEJQSSA-N 1 0 634.821 7.065 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102791412 555068942 /nfs/dbraw/zinc/06/89/42/555068942.db2.gz KTRHXJMZLYYQTB-UQRQXUALSA-N 1 0 541.761 6.917 50 0 KKAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000102791030 555069051 /nfs/dbraw/zinc/06/90/51/555069051.db2.gz MYLCLFMPNCXGKA-VAMRJTSQSA-N 1 0 554.760 5.432 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832673 555079285 /nfs/dbraw/zinc/07/92/85/555079285.db2.gz LKCVZORMVJMCEC-UHFFFAOYSA-N 1 0 611.631 6.039 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832668 555079370 /nfs/dbraw/zinc/07/93/70/555079370.db2.gz UTLRVMZMMKSPAV-UHFFFAOYSA-N 1 0 544.527 5.308 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839128 555080448 /nfs/dbraw/zinc/08/04/48/555080448.db2.gz LAKSICSFVMZEAB-AREMUKBSSA-N 1 0 528.505 5.377 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839182 555080708 /nfs/dbraw/zinc/08/07/08/555080708.db2.gz FMVBMVQXNSQGMM-HHHXNRCGSA-N 1 0 542.532 5.767 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000102888320 555121414 /nfs/dbraw/zinc/12/14/14/555121414.db2.gz DRIHSNFSDAAMGQ-PUHABZHSSA-N 1 0 553.540 6.013 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000102888321 555121437 /nfs/dbraw/zinc/12/14/37/555121437.db2.gz DRIHSNFSDAAMGQ-VIJSPRBVSA-N 1 0 553.540 6.013 50 0 KKAARO C[N@@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909621 555142512 /nfs/dbraw/zinc/14/25/12/555142512.db2.gz ZUPYTLZMYSMXSB-SSEXGKCCSA-N 1 0 538.091 6.791 50 0 KKAARO CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000103007790 555205068 /nfs/dbraw/zinc/20/50/68/555205068.db2.gz WFXINIMHHDWLJG-UHFFFAOYSA-N 1 0 548.687 5.683 50 0 KKAARO CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000103014346 555208229 /nfs/dbraw/zinc/20/82/29/555208229.db2.gz JVMDWMZSQFSJAD-UHFFFAOYSA-N 1 0 557.492 5.656 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3ccccc3Br)c(C)nn2-c2ccccc2)CC1 ZINC000103024528 555214807 /nfs/dbraw/zinc/21/48/07/555214807.db2.gz GXOYILVDOAFNFI-UHFFFAOYSA-N 1 0 552.561 5.774 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103040202 555224890 /nfs/dbraw/zinc/22/48/90/555224890.db2.gz MFGSFJQYWNQDQK-PPHZAIPVSA-N 1 0 574.644 6.008 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(=O)OC)c1 ZINC000103048927 555230850 /nfs/dbraw/zinc/23/08/50/555230850.db2.gz NMLXTHCKIYGKON-UHFFFAOYSA-N 1 0 580.556 7.135 50 0 KKAARO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103052087 555234113 /nfs/dbraw/zinc/23/41/13/555234113.db2.gz CAUVRAMUISFTTM-ZEQKJWHPSA-N 1 0 531.981 5.677 50 0 KKAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000103064973 555245349 /nfs/dbraw/zinc/24/53/49/555245349.db2.gz AVHFKNRADKHJQM-UHFFFAOYSA-N 1 0 560.182 7.229 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000103065008 555245677 /nfs/dbraw/zinc/24/56/77/555245677.db2.gz FAZTZRDCVFHKTH-WJOKGBTCSA-N 1 0 569.790 6.579 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1 ZINC000103068832 555249426 /nfs/dbraw/zinc/24/94/26/555249426.db2.gz GTOJOTBGUDHPAO-PRDAIKMNSA-N 1 0 601.835 8.417 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000103072334 555252318 /nfs/dbraw/zinc/25/23/18/555252318.db2.gz VFLCSHLMBZPLFE-UHFFFAOYSA-N 1 0 591.410 8.655 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000103072340 555252374 /nfs/dbraw/zinc/25/23/74/555252374.db2.gz ZZQRGYQRVKYXIV-UHFFFAOYSA-N 1 0 540.510 7.487 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@H](O)COCc1ccccc1 ZINC000103148662 555315362 /nfs/dbraw/zinc/31/53/62/555315362.db2.gz ZBEZDTMWWMXJOG-MHZLTWQESA-N 1 0 545.680 5.262 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103167446 555323463 /nfs/dbraw/zinc/32/34/63/555323463.db2.gz KMBSGQASVNVNGI-FWUCURJTSA-N 1 0 547.740 5.941 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CC[NH+](CCOc3ccccc3)CC1)nc2-c1ccccc1F ZINC000103235002 555342078 /nfs/dbraw/zinc/34/20/78/555342078.db2.gz ZNGKNVQNHXXQMM-UHFFFAOYSA-N 1 0 578.479 5.712 50 0 KKAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252362 555344565 /nfs/dbraw/zinc/34/45/65/555344565.db2.gz DAHQMVXFKNDONZ-QIKUIUABSA-N 1 0 623.798 5.667 50 0 KKAARO COc1cc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)ccc1O ZINC000103290909 555354179 /nfs/dbraw/zinc/35/41/79/555354179.db2.gz LUKGALQPUKOPKA-UHFFFAOYSA-N 1 0 555.763 6.909 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313636 555358370 /nfs/dbraw/zinc/35/83/70/555358370.db2.gz OGYHAFLRQKSIBR-ZEQRLZLVSA-N 1 0 533.883 6.220 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)NCC[NH+]1CCCC1 ZINC000103420773 555401388 /nfs/dbraw/zinc/40/13/88/555401388.db2.gz IMLBZPJYUUDNNW-XIFFEERXSA-N 1 0 543.711 7.216 50 0 KKAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000103428885 555411734 /nfs/dbraw/zinc/41/17/34/555411734.db2.gz WKXCRTJYRDZKDI-UHFFFAOYSA-N 1 0 549.698 5.883 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103518445 555423932 /nfs/dbraw/zinc/42/39/32/555423932.db2.gz PJAKLDZWFIABNU-GCDSYTDFSA-N 1 0 556.460 5.026 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000103549676 555442713 /nfs/dbraw/zinc/44/27/13/555442713.db2.gz XHNANQNDMBCSAA-RRHRGVEJSA-N 1 0 570.740 9.504 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000103664970 555461645 /nfs/dbraw/zinc/46/16/45/555461645.db2.gz SCWTYNCFUUQFSR-UETOGOEVSA-N 1 0 512.764 5.514 50 0 KKAARO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000169306656 562853612 /nfs/dbraw/zinc/85/36/12/562853612.db2.gz UDLROHGIZGZBJH-IRYIGKPUSA-N 1 0 534.336 6.439 50 0 KKAARO CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102565426 571361407 /nfs/dbraw/zinc/36/14/07/571361407.db2.gz SKRGWIREXNZEQW-UOWMXVQPSA-N 1 0 556.637 6.760 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000104147851 571375356 /nfs/dbraw/zinc/37/53/56/571375356.db2.gz FDWSFXRBELXTDB-DRSMIVCTSA-N 1 0 625.608 5.320 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000104147856 571375415 /nfs/dbraw/zinc/37/54/15/571375415.db2.gz FDWSFXRBELXTDB-QJTKOPTISA-N 1 0 625.608 5.320 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984704 571388713 /nfs/dbraw/zinc/38/87/13/571388713.db2.gz JTVUCQXNNMSOLD-BJKOFHAPSA-N 1 0 517.428 5.705 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007293 571389105 /nfs/dbraw/zinc/38/91/05/571389105.db2.gz USSMCBOWIAXEKC-RSXGOPAZSA-N 1 0 507.675 5.345 50 0 KKAARO Cc1ccc(C(=O)N(C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041297 571390184 /nfs/dbraw/zinc/39/01/84/571390184.db2.gz AVKSALOHMDYIGJ-NAKRPHOHSA-N 1 0 512.591 6.919 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)c1 ZINC000105041701 571390223 /nfs/dbraw/zinc/39/02/23/571390223.db2.gz STXAROWYFGXHNX-QVWWMRLHSA-N 1 0 514.685 6.833 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042639 571390389 /nfs/dbraw/zinc/39/03/89/571390389.db2.gz XATDTIHUKUFJHF-YWEHKCAJSA-N 1 0 514.563 6.117 50 0 KKAARO CC(C)OC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000135737700 571448912 /nfs/dbraw/zinc/44/89/12/571448912.db2.gz LIVBTPXNXFXSRF-UHFFFAOYSA-N 1 0 594.596 7.829 50 0 KKAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000150346457 571460436 /nfs/dbraw/zinc/46/04/36/571460436.db2.gz CHBHFXPNMOLXSG-GDLZYMKVSA-N 1 0 652.787 5.135 50 0 KKAARO CC(C)C(=O)Nc1ccn([C@H]2C[C@H](OP(OCCC#N)[NH+](C(C)C)C(C)C)[C@@H](COC(=O)OC[C@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)n1 ZINC000150353943 571462883 /nfs/dbraw/zinc/46/28/83/571462883.db2.gz WIBNCZNHWIPMDL-RGLZCHPGSA-N 1 0 704.718 5.652 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387840 571470428 /nfs/dbraw/zinc/47/04/28/571470428.db2.gz YSVUBQAOYHLWPZ-UHFFFAOYSA-N 1 0 642.221 6.408 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389037 571471438 /nfs/dbraw/zinc/47/14/38/571471438.db2.gz CUDPNVBGTZCRCS-UHFFFAOYSA-N 1 0 662.101 8.608 50 0 KKAARO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389279 571471677 /nfs/dbraw/zinc/47/16/77/571471677.db2.gz ZPGJZKUJFLELHA-UHFFFAOYSA-N 1 0 653.738 9.261 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390586 571472870 /nfs/dbraw/zinc/47/28/70/571472870.db2.gz NDWMCSQZLFYRPI-SSEXGKCCSA-N 1 0 648.229 5.056 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000150390853 571473120 /nfs/dbraw/zinc/47/31/20/571473120.db2.gz QYSNILWPOILXJF-FQEVSTJZSA-N 1 0 656.644 6.919 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396370 571476460 /nfs/dbraw/zinc/47/64/60/571476460.db2.gz TXZUBJCYGZJXDA-GDLZYMKVSA-N 1 0 652.192 5.199 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396378 571476469 /nfs/dbraw/zinc/47/64/69/571476469.db2.gz AQLXOFSQHSSAAU-HKBQPEDESA-N 1 0 650.245 5.681 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150397354 571476960 /nfs/dbraw/zinc/47/69/60/571476960.db2.gz SUOAIZDSYFILQK-HHHXNRCGSA-N 1 0 631.029 6.190 50 0 KKAARO O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CC[NH2+]CCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000150400110 571477929 /nfs/dbraw/zinc/47/79/29/571477929.db2.gz CVIJIDKQFLAUOV-UHFFFAOYSA-N 1 0 638.933 6.396 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414254 571484909 /nfs/dbraw/zinc/48/49/09/571484909.db2.gz WAOFNTRPZKUUCW-PMERELPUSA-N 1 0 648.229 5.056 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414315 571484926 /nfs/dbraw/zinc/48/49/26/571484926.db2.gz CNBMWNUQNYTYSN-YTTGMZPUSA-N 1 0 647.817 5.556 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150610310 571523003 /nfs/dbraw/zinc/52/30/03/571523003.db2.gz AZLDHAXKHQJGGK-MFACQUFMSA-N 1 0 673.824 7.823 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150644171 571524805 /nfs/dbraw/zinc/52/48/05/571524805.db2.gz LLOMTMXQLYGCNY-WNOXWKSXSA-N 1 0 715.861 7.593 50 0 KKAARO CC(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)cc2-c2ccccc2)cc1 ZINC000159147635 571529892 /nfs/dbraw/zinc/52/98/92/571529892.db2.gz ZUIWNYNNUUQBQV-DXQCBLCSSA-N 1 0 646.814 10.523 50 0 KKAARO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677734 571555364 /nfs/dbraw/zinc/55/53/64/571555364.db2.gz LJGZUDQKQVFSON-PTJQVGQKSA-N 1 0 507.600 5.488 50 0 KKAARO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681924 571557736 /nfs/dbraw/zinc/55/77/36/571557736.db2.gz CAUVRAMUISFTTM-BVAGGSTKSA-N 1 0 531.981 5.677 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000169778797 571560429 /nfs/dbraw/zinc/56/04/29/571560429.db2.gz QRYDFPQVLUNFAK-IJENORETSA-N 1 0 529.706 5.235 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000225075116 571644522 /nfs/dbraw/zinc/64/45/22/571644522.db2.gz VZINKNLPTWCSJS-YZNIXAGQSA-N 1 0 519.104 7.478 50 0 KKAARO Clc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492576 572111047 /nfs/dbraw/zinc/11/10/47/572111047.db2.gz KSOSQIRFURLYAG-UHFFFAOYSA-N 1 0 551.507 5.548 50 0 KKAARO O=C(c1cccnc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229981696 572176838 /nfs/dbraw/zinc/17/68/38/572176838.db2.gz HHXFUJSDCGISHF-BVHQZVKASA-N 1 0 576.450 5.826 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174501 572191920 /nfs/dbraw/zinc/19/19/20/572191920.db2.gz QDRWJGGEHHAYQU-ZPDMJJASSA-N 1 0 523.714 5.344 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000245108466 572200773 /nfs/dbraw/zinc/20/07/73/572200773.db2.gz SYHLRCGHVPPVBA-NDEPHWFRSA-N 1 0 600.682 5.309 50 0 KKAARO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245208 572217120 /nfs/dbraw/zinc/21/71/20/572217120.db2.gz BYKGXLRGQFNAQI-NLCLVCPQSA-N 1 0 558.703 6.928 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000245245585 572217751 /nfs/dbraw/zinc/21/77/51/572217751.db2.gz DRKWHMYCGUOUMF-LXEATBNUSA-N 1 0 552.845 5.661 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279956 572224552 /nfs/dbraw/zinc/22/45/52/572224552.db2.gz LAUGOIOKYRAZNE-XNMGPUDCSA-N 1 0 507.675 5.202 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325679 572231998 /nfs/dbraw/zinc/23/19/98/572231998.db2.gz BZAJHVYCKFSBJP-VPUSJEBWSA-N 1 0 538.610 6.448 50 0 KKAARO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343695 572239816 /nfs/dbraw/zinc/23/98/16/572239816.db2.gz WRQAGDADNSFIDQ-SLGOVJDISA-N 1 0 563.739 5.777 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473603 572242341 /nfs/dbraw/zinc/24/23/41/572242341.db2.gz GJGLIWOKJLUHIJ-HXUWFJFHSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504662 572242933 /nfs/dbraw/zinc/24/29/33/572242933.db2.gz RDXQSARHZNOSNV-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247513861 572242977 /nfs/dbraw/zinc/24/29/77/572242977.db2.gz UWDNTDRSSSSAHO-OAQYLSRUSA-N 1 0 551.916 6.012 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739846 572244065 /nfs/dbraw/zinc/24/40/65/572244065.db2.gz NFRRAOIOKKXVDM-GOSISDBHSA-N 1 0 568.313 6.401 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743898 572244363 /nfs/dbraw/zinc/24/43/63/572244363.db2.gz PGVMPDSGAYWRRB-GOSISDBHSA-N 1 0 568.313 6.401 50 0 KKAARO O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794137 572245016 /nfs/dbraw/zinc/24/50/16/572245016.db2.gz BPOVVMXACUNIOC-QHCPKHFHSA-N 1 0 604.524 5.124 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247808012 572245373 /nfs/dbraw/zinc/24/53/73/572245373.db2.gz CKUYAYBACIZZMA-XMMPIXPASA-N 1 0 562.545 5.952 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843255 572246034 /nfs/dbraw/zinc/24/60/34/572246034.db2.gz GEGYXXFPPKOILD-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839430 572246080 /nfs/dbraw/zinc/24/60/80/572246080.db2.gz DZOJIUBDBADWPU-XMMPIXPASA-N 1 0 546.090 5.438 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866858 572246854 /nfs/dbraw/zinc/24/68/54/572246854.db2.gz OYLRIMMTMJXKSV-JOCHJYFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875870 572247495 /nfs/dbraw/zinc/24/74/95/572247495.db2.gz NWHZGQIHQJPDQE-NRFANRHFSA-N 1 0 655.424 6.291 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881133 572247835 /nfs/dbraw/zinc/24/78/35/572247835.db2.gz VOISHMBYMGGCSQ-NRFANRHFSA-N 1 0 627.414 6.656 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881349 572247921 /nfs/dbraw/zinc/24/79/21/572247921.db2.gz VSTNZVKJBSORHU-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886022 572248347 /nfs/dbraw/zinc/24/83/47/572248347.db2.gz XASKZFJFCPBLEN-JOCHJYFZSA-N 1 0 532.063 5.379 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895521 572248811 /nfs/dbraw/zinc/24/88/11/572248811.db2.gz XGSWPXZTRYBFCW-RUZDIDTESA-N 1 0 525.672 5.342 50 0 KKAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948240 572250270 /nfs/dbraw/zinc/25/02/70/572250270.db2.gz XGINBDOLEJQQDD-JOCHJYFZSA-N 1 0 517.471 5.625 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248009362 572252298 /nfs/dbraw/zinc/25/22/98/572252298.db2.gz IQGLJKGZLRIGOW-XTEPFMGCSA-N 1 0 539.001 6.015 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007132 572252373 /nfs/dbraw/zinc/25/23/73/572252373.db2.gz PUCQXIMKHXFUNT-OAQYLSRUSA-N 1 0 513.608 5.197 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033266 572252787 /nfs/dbraw/zinc/25/27/87/572252787.db2.gz YHAJZGRGDPSNIC-FQEVSTJZSA-N 1 0 514.501 5.485 50 0 KKAARO Cc1cccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109823 572253826 /nfs/dbraw/zinc/25/38/26/572253826.db2.gz QKNKDAPOYZFZPI-QHCPKHFHSA-N 1 0 531.498 5.667 50 0 KKAARO Cc1cccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122138 572254252 /nfs/dbraw/zinc/25/42/52/572254252.db2.gz VMDRETHVBJPCLJ-QHCPKHFHSA-N 1 0 531.498 5.667 50 0 KKAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125588 572254376 /nfs/dbraw/zinc/25/43/76/572254376.db2.gz FRZWOYNQQJUYHJ-LJQANCHMSA-N 1 0 519.443 5.647 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248132281 572254674 /nfs/dbraw/zinc/25/46/74/572254674.db2.gz XIHNDDUMNJZCRB-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248142878 572255251 /nfs/dbraw/zinc/25/52/51/572255251.db2.gz QTOLMJJMCLDIKN-HXLKRRFRSA-N 1 0 586.644 5.694 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1C ZINC000248153959 572255792 /nfs/dbraw/zinc/25/57/92/572255792.db2.gz KXGNXBCVZSIKDM-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249245 572257128 /nfs/dbraw/zinc/25/71/28/572257128.db2.gz ROTDXEFQIGLLJT-GJZUVCINSA-N 1 0 501.568 6.187 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248260580 572257387 /nfs/dbraw/zinc/25/73/87/572257387.db2.gz WAVLQOGKLZLFIK-LSYYVWMOSA-N 1 0 542.617 6.867 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248323286 572258067 /nfs/dbraw/zinc/25/80/67/572258067.db2.gz XOOCRHPVAVPKRB-IZEXYCQBSA-N 1 0 576.619 5.538 50 0 KKAARO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C[C@H]2CC)cc1 ZINC000248378803 572258603 /nfs/dbraw/zinc/25/86/03/572258603.db2.gz KQLDASGMVSYSES-ABHKCOFOSA-N 1 0 628.810 6.895 50 0 KKAARO CCCCC[N@@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800760 572258824 /nfs/dbraw/zinc/25/88/24/572258824.db2.gz NCFFNJNNMLKHOL-XJBBNLILSA-N 1 0 609.723 5.376 50 0 KKAARO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252006545 572259634 /nfs/dbraw/zinc/25/96/34/572259634.db2.gz PDHJNVQIRGFGOZ-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000252370348 572260224 /nfs/dbraw/zinc/26/02/24/572260224.db2.gz XPTUSGJIPBGRPB-VWLOTQADSA-N 1 0 600.605 6.472 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+](Cc3ccccc3)[C@H]3CCCC[C@@H]3O)cc21 ZINC000252427781 572260442 /nfs/dbraw/zinc/26/04/42/572260442.db2.gz FYFSRXZMCFPCDK-IDYPCJJGSA-N 1 0 570.730 5.969 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3C4=C(CCCC4)C(=O)N3C[C@H]3CCCO3)CCC[C@@]21C ZINC000252444311 572261053 /nfs/dbraw/zinc/26/10/53/572261053.db2.gz BEEWXJLOUGNKKP-YLXTWAGZSA-N 1 0 504.759 6.628 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(Cc3cccnc3)CC2)CC1 ZINC000252485272 572261646 /nfs/dbraw/zinc/26/16/46/572261646.db2.gz GPXLVWCOQMTNRR-UHFFFAOYSA-N 1 0 529.651 5.538 50 0 KKAARO CC(C)(C)OC[C@H](O)CN1CCC([NH+]2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252501887 572261827 /nfs/dbraw/zinc/26/18/27/572261827.db2.gz UKLJBKKXUYJXOV-AREMUKBSSA-N 1 0 568.725 5.119 50 0 KKAARO Cc1ccc([C@H]2CC(c3cccc(N(C)C)c3)=[NH+]N2c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)cc1 ZINC000252504566 572261982 /nfs/dbraw/zinc/26/19/82/572261982.db2.gz VKTKIKNZPZQQFR-SSEXGKCCSA-N 1 0 518.064 7.680 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@@H]3CCC[C@@H]3[NH+]3CCN(C)CC3)cc2)CC1 ZINC000252512220 572262165 /nfs/dbraw/zinc/26/21/65/572262165.db2.gz ODKQFULXUUADEW-LNVOOWCLSA-N 1 0 510.122 5.686 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252537623 572262984 /nfs/dbraw/zinc/26/29/84/572262984.db2.gz LVQUXHKZDJLRJA-XDFJSJKPSA-N 1 0 688.891 5.177 50 0 KKAARO C[N@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252584830 572264204 /nfs/dbraw/zinc/26/42/04/572264204.db2.gz DBVANVNXSDDHHB-TZTNWLRESA-N 1 0 634.777 5.149 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586366 572265327 /nfs/dbraw/zinc/26/53/27/572265327.db2.gz PKPVAUJGGSQOMJ-LBULEFPHSA-N 1 0 625.597 5.054 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252586341 572265334 /nfs/dbraw/zinc/26/53/34/572265334.db2.gz PHNNBMSMZUEJBY-SBFBYGJJSA-N 1 0 691.288 5.854 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccccc1 ZINC000252586663 572265603 /nfs/dbraw/zinc/26/56/03/572265603.db2.gz RQLLBFHXZIPOAD-OFIGPWBZSA-N 1 0 633.233 5.282 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252587100 572265895 /nfs/dbraw/zinc/26/58/95/572265895.db2.gz VPZSVEGKGKSXKT-CVNBTSDOSA-N 1 0 604.836 5.105 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000253373775 572282184 /nfs/dbraw/zinc/28/21/84/572282184.db2.gz KBTBOHIOFMNNPB-HQMQMYHNSA-N 1 0 560.675 6.519 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000253389019 572283131 /nfs/dbraw/zinc/28/31/31/572283131.db2.gz YFGKOZWXRWYBSB-SMSORMJASA-N 1 0 583.795 5.444 50 0 KKAARO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)N2CCC[C@@H]2[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000253488031 572291171 /nfs/dbraw/zinc/29/11/71/572291171.db2.gz VUIKFZDLADUMFA-FZTAYZORSA-N 1 0 566.872 5.970 50 0 KKAARO CCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607218 572300892 /nfs/dbraw/zinc/30/08/92/572300892.db2.gz CAUSFYGABPVROI-QFIPXVFZSA-N 1 0 531.498 6.591 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000253607189 572300877 /nfs/dbraw/zinc/30/08/77/572300877.db2.gz APNQHROHZBDXOL-AREMUKBSSA-N 1 0 539.699 5.849 50 0 KKAARO CCCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000253607546 572301043 /nfs/dbraw/zinc/30/10/43/572301043.db2.gz WCEWYHQHGVRDEW-JOCHJYFZSA-N 1 0 531.498 6.591 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615526 572301376 /nfs/dbraw/zinc/30/13/76/572301376.db2.gz LWTSUQWMURCHJI-OAQYLSRUSA-N 1 0 655.424 6.291 50 0 KKAARO CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257349048 572321455 /nfs/dbraw/zinc/32/14/55/572321455.db2.gz LDLFMTWFFWGZLY-IXVCZVEYSA-N 1 0 511.835 8.424 50 0 KKAARO CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000257349047 572321491 /nfs/dbraw/zinc/32/14/91/572321491.db2.gz LDLFMTWFFWGZLY-FASGTORQSA-N 1 0 511.835 8.424 50 0 KKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@H](OC(=O)c5ccccc5)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257350476 572321761 /nfs/dbraw/zinc/32/17/61/572321761.db2.gz XSWCEFIPJIPPPW-CHGMSDGTSA-N 1 0 573.906 9.718 50 0 KKAARO CCCC[C@@H]1Oc2ccccc2[C@@H]1C(=O)c1ccc(OCC[NH+](CC)CC)c(I)c1 ZINC000514268741 1069726305 /nfs/dbraw/zinc/72/63/05/1069726305.db2.gz GXGVTWJXMNXSIR-ZEQRLZLVSA-N 1 0 521.439 5.930 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2csc(-c3ccccc3)n2)c1)Cc1cccc2cccnc21 ZINC000101854418 1069820958 /nfs/dbraw/zinc/82/09/58/1069820958.db2.gz YSQGDNOYWWXAIU-JGCGQSQUSA-N 1 0 590.793 7.383 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000524730038 1069828893 /nfs/dbraw/zinc/82/88/93/1069828893.db2.gz SDDHWOXUGKALIO-BKMJKUGQSA-N 1 0 508.659 5.137 50 0 KKAARO O=C(Cc1cccs1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102124664 1069843492 /nfs/dbraw/zinc/84/34/92/1069843492.db2.gz OBWIGMITJPMZTA-SANMLTNESA-N 1 0 538.157 6.116 50 0 KKAARO Cc1[nH]c2c(cccc2C(=O)N2CCN(CCOc3cccc(C[N@H+](C)Cc4cccs4)c3)CC2)c1C ZINC000091830857 1069848492 /nfs/dbraw/zinc/84/84/92/1069848492.db2.gz CIFNPALNAYFESA-UHFFFAOYSA-N 1 0 516.711 5.315 50 0 KKAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c(C)c1C ZINC000102313306 1069854655 /nfs/dbraw/zinc/85/46/55/1069854655.db2.gz JFKKAIYDNIVRQS-DGPALRBDSA-N 1 0 580.695 5.412 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1Cc1cccc(Cl)c1 ZINC000102602414 1069860479 /nfs/dbraw/zinc/86/04/79/1069860479.db2.gz VDJZWFVWNZPULM-PXJZQJOASA-N 1 0 542.079 5.314 50 0 KKAARO O=C([C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102688586 1069862338 /nfs/dbraw/zinc/86/23/38/1069862338.db2.gz MDSIZUWPAHWHNQ-OFSOJUDTSA-N 1 0 583.098 5.408 50 0 KKAARO Cc1[nH]c2c(cccc2C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)c1C ZINC000102701094 1069863639 /nfs/dbraw/zinc/86/36/39/1069863639.db2.gz GBINZIVXJHDZRA-UHFFFAOYSA-N 1 0 561.730 5.802 50 0 KKAARO CCN1c2cc(-c3nc4ccccc4s3)ccc2N(c2ccccc2)/C1=C\C=C\C=C\c1n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc2[n+]1CC ZINC000685944608 1070944424 /nfs/dbraw/zinc/94/44/24/1070944424.db2.gz GAGDLGAXQCBOBZ-UHFFFAOYSA-N 1 0 776.027 12.580 50 0 KKAARO CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(-c2ccccc2)cc(-c2c(F)c(F)c(F)c(F)c2F)[o+]1 ZINC000685944683 1070945033 /nfs/dbraw/zinc/94/50/33/1070945033.db2.gz OADKINUMJWLPQG-ZEUVWOONSA-N 1 0 520.521 7.983 50 0 KKAARO CCN1c2ccc(OC)cc2S/C1=C\C=C(\C=C\c1sc2cc(OC)ccc2[n+]1CC)c1ccccc1 ZINC000685944470 1070941823 /nfs/dbraw/zinc/94/18/23/1070941823.db2.gz PPFMFDYIUHABFT-UHFFFAOYSA-N 1 0 527.735 7.796 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCC(C)C)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014732940 1070946876 /nfs/dbraw/zinc/94/68/76/1070946876.db2.gz YOFNBYYTVFADHB-LEWJYISDSA-N 1 0 508.581 5.012 50 0 KKAARO CCOC(=O)[C@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000299768096 1071048028 /nfs/dbraw/zinc/04/80/28/1071048028.db2.gz GBFMPNJKHKJGIU-IBGZPJMESA-N 1 0 531.575 5.340 50 0 KKAARO CC(C)[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1cccn1C)C(=O)NC1CCCCC1 ZINC000575442859 1071142178 /nfs/dbraw/zinc/14/21/78/1071142178.db2.gz GTKOPWCMOMGWLI-YZRKUJAWSA-N 1 0 540.752 5.612 50 0 KKAARO Cc1cc(C)c(NC(=O)[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N(CCc3ccccc3)[C@H]2c2cccn2C)C(C)C)c(C)c1 ZINC000575442927 1071142804 /nfs/dbraw/zinc/14/28/04/1071142804.db2.gz JULWKIKMKQMWTF-MFIDKRJXSA-N 1 0 576.785 6.727 50 0 KKAARO Cc1cc(C)c(NC(=O)[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N(CCc3ccccc3)[C@H]2c2cccn2C)C(C)C)c(C)c1 ZINC000575442926 1071142887 /nfs/dbraw/zinc/14/28/87/1071142887.db2.gz JULWKIKMKQMWTF-LWKLBADKSA-N 1 0 576.785 6.727 50 0 KKAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC(C)(c3noc(-c4ccncc4)n3)CC2)CC1 ZINC000169784521 1071186372 /nfs/dbraw/zinc/18/63/72/1071186372.db2.gz LDFGZYUQVGADPH-UHFFFAOYSA-N 1 0 540.668 5.196 50 0 KKAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)CC1 ZINC000169784071 1071186408 /nfs/dbraw/zinc/18/64/08/1071186408.db2.gz XDVGFMOSSRZQPN-UHFFFAOYSA-N 1 0 559.711 5.109 50 0 KKAARO COc1ccccc1/C=C/C[NH+](C/C=C/c1ccccc1OC)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000170620271 1071186993 /nfs/dbraw/zinc/18/69/93/1071186993.db2.gz ACEQBKFUPFNTRW-KWMXLQRSSA-N 1 0 511.588 6.210 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012246356 1071239957 /nfs/dbraw/zinc/23/99/57/1071239957.db2.gz JVKNKOPNXQFBIQ-XMMPIXPASA-N 1 0 525.678 5.507 50 0 KKAARO O=C(c1cncs1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014981020 1071245344 /nfs/dbraw/zinc/24/53/44/1071245344.db2.gz NVEDLDMKLGJQHL-XMMPIXPASA-N 1 0 525.118 5.583 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cccc4ccccc43)CC2)c1)Cc1cccc2ncccc12 ZINC000014989827 1071246069 /nfs/dbraw/zinc/24/60/69/1071246069.db2.gz NNQZZLPWXJJBOX-UHFFFAOYSA-N 1 0 515.657 6.704 50 0 KKAARO Cn1ccc(CC(=O)N2CCCC[C@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)c1 ZINC000014989730 1071246248 /nfs/dbraw/zinc/24/62/48/1071246248.db2.gz QWTLHHXHGBJHTI-NDEPHWFRSA-N 1 0 535.132 5.393 50 0 KKAARO Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)n2)cc1 ZINC000825182599 1071286907 /nfs/dbraw/zinc/28/69/07/1071286907.db2.gz BSBTVVMZLJTADX-SANMLTNESA-N 1 0 524.068 7.553 50 0 KKAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000200576394 1071290388 /nfs/dbraw/zinc/29/03/88/1071290388.db2.gz FGCPFWYNKOGINB-LBNVMWSVSA-N 1 0 569.668 5.214 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(/C=C\c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102936640 1071321213 /nfs/dbraw/zinc/32/12/13/1071321213.db2.gz XTCYTZQBJDEKDE-YGHYCAGRSA-N 1 0 586.739 9.601 50 0 KKAARO CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1CP(C1CCCCC1)C1CCCCC1 ZINC000097976255 1071322812 /nfs/dbraw/zinc/32/28/12/1071322812.db2.gz ABQNTHRTJAVLSV-UHFFFAOYSA-N 1 0 599.908 11.895 50 0 KKAARO N#CC1C(=S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000254814129 1072880303 /nfs/dbraw/zinc/88/03/03/1072880303.db2.gz ZKHAPVKIJFZIOU-WEWMWRJBSA-O 1 0 505.450 5.872 50 0 KKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014531866 1072890775 /nfs/dbraw/zinc/89/07/75/1072890775.db2.gz RHOWXMQESJTHFJ-LADGPHEKSA-N 1 0 512.572 5.548 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000014995040 1072895081 /nfs/dbraw/zinc/89/50/81/1072895081.db2.gz JDRKHBQGJZGPDE-UHFFFAOYSA-N 1 0 513.707 6.424 50 0 KKAARO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719919 551536546 /nfs/dbraw/zinc/53/65/46/551536546.db2.gz COUQSWZIKUJZCY-GWGLJBMUSA-N 1 0 573.660 5.143 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(NC(C)=O)cc1 ZINC000001317832 551641033 /nfs/dbraw/zinc/64/10/33/551641033.db2.gz UHXJQHQVPKOXDR-XIFFEERXSA-N 1 0 547.655 6.528 50 0 biogenic KKAARO CCOC(=O)c1ccccc1OCc1cc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)ccc1OC ZINC000001322336 551642026 /nfs/dbraw/zinc/64/20/26/551642026.db2.gz PCTRPPBDUIJHMN-MGBGTMOVSA-N 1 0 562.666 6.746 50 0 biogenic KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000001785110 551699162 /nfs/dbraw/zinc/69/91/62/551699162.db2.gz DNSJDTMAKSZEMP-UHFFFAOYSA-N 1 0 599.621 8.510 50 0 KKAARO Cc1cccc(N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000001808740 551705057 /nfs/dbraw/zinc/70/50/57/551705057.db2.gz CCFSAYGXFQLIAW-GDLZYMKVSA-N 1 0 500.664 5.254 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000001833325 551711996 /nfs/dbraw/zinc/71/19/96/551711996.db2.gz LLVJDDOWYQDYQP-HKBQPEDESA-N 1 0 569.499 7.332 50 0 biogenic KKAARO CCOc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000002177950 551784156 /nfs/dbraw/zinc/78/41/56/551784156.db2.gz HBNRYCPVJGWEAJ-YFKJYVEOSA-N 1 0 521.540 5.980 50 0 KKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000002297385 552089847 /nfs/dbraw/zinc/08/98/47/552089847.db2.gz ONFWFYABKFGPGQ-HKBQPEDESA-N 1 0 550.143 7.268 50 0 KKAARO Brc1ccc(-[n+]2c3c(cc4c2[C@@H](C2=CCCCC2)CCC4)CCC[C@@H]3C2=CCCCC2)cc1 ZINC000002306007 552090292 /nfs/dbraw/zinc/09/02/92/552090292.db2.gz BWMHCJRXTZFTMZ-FQLXRVMXSA-N 1 0 503.548 8.566 50 0 KKAARO COc1cc([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654162 552147993 /nfs/dbraw/zinc/14/79/93/552147993.db2.gz YKDGTSAUMCIKQF-QABMSTFYSA-N 1 0 563.019 8.252 50 0 KKAARO COc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002774236 552185903 /nfs/dbraw/zinc/18/59/03/552185903.db2.gz FRCYOTHKYJAJDX-UHFFFAOYSA-N 1 0 530.466 6.067 50 0 KKAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002781319 552188437 /nfs/dbraw/zinc/18/84/37/552188437.db2.gz RTUPKKPUVHETPR-UHFFFAOYSA-N 1 0 539.587 5.565 50 0 KKAARO CCOc1cc(C[NH2+]Cc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000002890448 552211210 /nfs/dbraw/zinc/21/12/10/552211210.db2.gz XHVJJGHSBDVUQW-UHFFFAOYSA-N 1 0 530.406 5.306 50 0 KKAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912928 552215318 /nfs/dbraw/zinc/21/53/18/552215318.db2.gz XOGTYJRIGWQPBN-FQEVSTJZSA-N 1 0 522.114 6.359 50 0 KKAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1Br ZINC000002917762 552218376 /nfs/dbraw/zinc/21/83/76/552218376.db2.gz PDRKBKMBQMZHLD-DNQXCXABSA-N 1 0 505.347 5.401 50 0 KKAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000002923125 552221925 /nfs/dbraw/zinc/22/19/25/552221925.db2.gz LAOXGADGTDKGLA-UHFFFAOYSA-N 1 0 554.115 6.440 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000002968250 552239640 /nfs/dbraw/zinc/23/96/40/552239640.db2.gz HBNISFDLWBQRCX-HSZRJFAPSA-N 1 0 562.390 7.648 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000003029629 552267918 /nfs/dbraw/zinc/26/79/18/552267918.db2.gz KZOZSPPDCJVYSC-UHFFFAOYSA-N 1 0 516.867 5.637 50 0 KKAARO CC(C)[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054710 552279773 /nfs/dbraw/zinc/27/97/73/552279773.db2.gz USCADVWCQVETDG-OVVQPSECSA-N 1 0 564.549 5.956 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@H+](C)Cc3ccccc3)C2=O)cc1Br ZINC000003057822 552281210 /nfs/dbraw/zinc/28/12/10/552281210.db2.gz SLGFCFLSIPBTGS-YZSQISJMSA-N 1 0 566.521 5.186 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059622 552281772 /nfs/dbraw/zinc/28/17/72/552281772.db2.gz PRJSPTQMMYIUBG-ANYBSYGZSA-N 1 0 530.068 5.913 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062631 552283449 /nfs/dbraw/zinc/28/34/49/552283449.db2.gz MCXJXPMWORNTRY-OFWBYEQRSA-N 1 0 543.708 6.502 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c12 ZINC000003339171 552362224 /nfs/dbraw/zinc/36/22/24/552362224.db2.gz UEKNHEKPWMJHNL-UHFFFAOYSA-N 1 0 513.711 6.376 50 0 KKAARO COc1ccc(NC(=O)COc2ccc([C@@H]3[NH2+]C[C@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410206 552381908 /nfs/dbraw/zinc/38/19/08/552381908.db2.gz DQJZKQXBCINRDZ-QNLPTKCRSA-N 1 0 568.073 6.681 50 0 KKAARO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000003966243 552424279 /nfs/dbraw/zinc/42/42/79/552424279.db2.gz UXXQOJXBIDBUAC-UHFFFAOYSA-N 1 0 562.715 5.035 50 0 investigational KKAARO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000004655029 552471492 /nfs/dbraw/zinc/47/14/92/552471492.db2.gz QUIJNHUBAXPXFS-XLJNKUFUSA-N 1 0 555.516 7.131 50 0 fda KKAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761926 552478220 /nfs/dbraw/zinc/47/82/20/552478220.db2.gz VKOPELHILUKHBE-NDEPHWFRSA-N 1 0 610.155 5.031 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761894 552478364 /nfs/dbraw/zinc/47/83/64/552478364.db2.gz NHGXYUHEDHICLB-HKBQPEDESA-N 1 0 617.791 5.466 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762062 552478542 /nfs/dbraw/zinc/47/85/42/552478542.db2.gz OFRZSAGGHVLRCB-LJAQVGFWSA-N 1 0 636.218 5.291 50 0 KKAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762163 552478799 /nfs/dbraw/zinc/47/87/99/552478799.db2.gz AGHPOXNMDMVCOD-NDEPHWFRSA-N 1 0 594.156 5.331 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762155 552478820 /nfs/dbraw/zinc/47/88/20/552478820.db2.gz QFXDPQMRLCUPQN-MUUNZHRXSA-N 1 0 610.155 5.031 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762087 552478858 /nfs/dbraw/zinc/47/88/58/552478858.db2.gz YPRDMNCJUKJPKQ-HKBQPEDESA-N 1 0 615.800 5.027 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762109 552478938 /nfs/dbraw/zinc/47/89/38/552478938.db2.gz YADHUAZPLUVBDM-SSEXGKCCSA-N 1 0 620.219 5.672 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762184 552479053 /nfs/dbraw/zinc/47/90/53/552479053.db2.gz AHDLXXHBIYXABX-MHZLTWQESA-N 1 0 614.574 5.676 50 0 KKAARO COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762182 552479076 /nfs/dbraw/zinc/47/90/76/552479076.db2.gz FYYFJYDKQUSHIG-MUUNZHRXSA-N 1 0 610.155 5.031 50 0 KKAARO c1ccc([C@@H]2CC(c3ccc(C4=[NH+]N(c5ccccc5)[C@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000005395775 552500889 /nfs/dbraw/zinc/50/08/89/552500889.db2.gz HUDFQTTYMSMMGU-ZPGRZCPFSA-N 1 0 518.664 8.398 50 0 KKAARO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006023248 552520159 /nfs/dbraw/zinc/52/01/59/552520159.db2.gz BXBZIOWDXOTBEK-UHFFFAOYSA-N 1 0 531.722 5.568 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166797 552556898 /nfs/dbraw/zinc/55/68/98/552556898.db2.gz CHMOBCYCIPUWDM-UHFFFAOYSA-N 1 0 627.675 9.029 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000006166897 552557457 /nfs/dbraw/zinc/55/74/57/552557457.db2.gz YUZJQHSGHAHKCP-UHFFFAOYSA-N 1 0 625.684 8.769 50 0 KKAARO CC[NH+](CC)CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000008434883 553029063 /nfs/dbraw/zinc/02/90/63/553029063.db2.gz AUPYLVQVLTXCGR-SANMLTNESA-N 1 0 636.388 6.740 50 0 KKAARO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444825 553051993 /nfs/dbraw/zinc/05/19/93/553051993.db2.gz PDXWEDPGKPWEPA-RULLOFLBSA-N 1 0 592.504 6.033 50 0 KKAARO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000008448285 553055759 /nfs/dbraw/zinc/05/57/59/553055759.db2.gz RQQQYVFOXFBNOZ-UHFFFAOYSA-N 1 0 608.623 8.219 50 0 KKAARO CC(C)OC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448289 553055833 /nfs/dbraw/zinc/05/58/33/553055833.db2.gz KCIHCHFEJAPWOM-UHFFFAOYSA-N 1 0 626.594 7.589 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21)Cc1ccccc1 ZINC000008595272 553088781 /nfs/dbraw/zinc/08/87/81/553088781.db2.gz QTHJGDIGLYMJTF-UHFFFAOYSA-N 1 0 526.681 6.418 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597608 553093543 /nfs/dbraw/zinc/09/35/43/553093543.db2.gz IVVLOZPZBSDULJ-NRFANRHFSA-N 1 0 566.123 5.185 50 0 KKAARO Cc1cccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597922 553094389 /nfs/dbraw/zinc/09/43/89/553094389.db2.gz ZBTDBDOWWZQJOO-UHFFFAOYSA-N 1 0 535.733 5.386 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696049 553125561 /nfs/dbraw/zinc/12/55/61/553125561.db2.gz KURRTRAUUXOBQV-CYTLCNBWSA-N 1 0 597.804 5.537 50 0 KKAARO COC(=O)c1sc2nc(-c3ccccc3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1C ZINC000008751209 553135400 /nfs/dbraw/zinc/13/54/00/553135400.db2.gz CUVFPCDWKIAEKX-UHFFFAOYSA-N 1 0 534.685 6.365 50 0 KKAARO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000008763667 553137738 /nfs/dbraw/zinc/13/77/38/553137738.db2.gz BWBFGVZUHJHYIL-SSEXGKCCSA-N 1 0 512.694 7.746 50 0 KKAARO CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763386 553137818 /nfs/dbraw/zinc/13/78/18/553137818.db2.gz WTMHMIQZQQQCNR-GDLZYMKVSA-N 1 0 530.759 7.976 50 0 KKAARO CC1(C)CC(NC(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000008766546 553138902 /nfs/dbraw/zinc/13/89/02/553138902.db2.gz GGKFFMDWZALZSB-HXUWFJFHSA-N 1 0 521.105 5.490 50 0 KKAARO O=C(CC[NH+]1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008835993 553162848 /nfs/dbraw/zinc/16/28/48/553162848.db2.gz CRVILOUWJYKQCE-JOCHJYFZSA-N 1 0 519.281 5.765 50 0 KKAARO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008868891 553171074 /nfs/dbraw/zinc/17/10/74/553171074.db2.gz CBVXDGRVVNIPGI-UHFFFAOYSA-N 1 0 509.576 5.142 50 0 KKAARO Cc1oc(-c2ccc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)cc2)nc1COc1ccc(C)cc1 ZINC000008911645 553183982 /nfs/dbraw/zinc/18/39/82/553183982.db2.gz UTSGALYGNXHPPS-UHFFFAOYSA-N 1 0 511.666 6.568 50 0 KKAARO Cc1c(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000008912063 553185049 /nfs/dbraw/zinc/18/50/49/553185049.db2.gz ZAQAFRLPYXCNCK-UHFFFAOYSA-N 1 0 536.720 5.981 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C(C)(C)C)cc1OCC ZINC000009007541 553198077 /nfs/dbraw/zinc/19/80/77/553198077.db2.gz OOOIKNRTWWAAAN-XMMPIXPASA-N 1 0 512.691 5.338 50 0 biogenic KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009066722 553206108 /nfs/dbraw/zinc/20/61/08/553206108.db2.gz ZZMDIORJTDCAGF-OAQYLSRUSA-N 1 0 509.275 6.500 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095147 553209340 /nfs/dbraw/zinc/20/93/40/553209340.db2.gz YVDQQDLUQZIAQC-GTYOFVGBSA-N 1 0 522.693 5.925 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Br)cc3)C[C@@H]21 ZINC000009216666 553221728 /nfs/dbraw/zinc/22/17/28/553221728.db2.gz MZOJXXWNQSEXTR-VWLOTQADSA-N 1 0 518.455 5.994 50 0 KKAARO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@H]1c1ccccc1 ZINC000009272029 553231552 /nfs/dbraw/zinc/23/15/52/553231552.db2.gz DBGVNYDZFAVFHZ-JHOUSYSJSA-N 1 0 520.717 6.661 50 0 KKAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000009407211 553256831 /nfs/dbraw/zinc/25/68/31/553256831.db2.gz UIIJHNXJGYOHPP-VSGBNLITSA-N 1 0 514.695 5.362 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000009407162 553256842 /nfs/dbraw/zinc/25/68/42/553256842.db2.gz JFCRYKAWSJNCRD-SVBPBHIXSA-N 1 0 502.684 5.075 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432876 553262917 /nfs/dbraw/zinc/26/29/17/553262917.db2.gz RJZOUPMTYJYFRL-NSOVKSMOSA-N 1 0 535.710 5.219 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)c1 ZINC000009433209 553262980 /nfs/dbraw/zinc/26/29/80/553262980.db2.gz XPCXWNGNEWFXIT-IHLOFXLRSA-N 1 0 529.750 6.022 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433224 553263037 /nfs/dbraw/zinc/26/30/37/553263037.db2.gz YDXBHKORPNXBLF-IZLXSDGUSA-N 1 0 501.696 5.249 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433597 553263303 /nfs/dbraw/zinc/26/33/03/553263303.db2.gz WDOSKLSDJSTYEX-URLMMPGGSA-N 1 0 513.707 5.536 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433596 553263320 /nfs/dbraw/zinc/26/33/20/553263320.db2.gz WDOSKLSDJSTYEX-FQLXRVMXSA-N 1 0 513.707 5.536 50 0 KKAARO CCCOc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000009436010 553264369 /nfs/dbraw/zinc/26/43/69/553264369.db2.gz UVXZUWZFDADFRI-UHFFFAOYSA-N 1 0 514.673 6.997 50 0 KKAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c12 ZINC000009610388 553288471 /nfs/dbraw/zinc/28/84/71/553288471.db2.gz PXXHRUFQGLHTJJ-UHFFFAOYSA-N 1 0 516.089 5.765 50 0 KKAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009614569 553290041 /nfs/dbraw/zinc/29/00/41/553290041.db2.gz RXUXRGDKJKQPLI-WJOKGBTCSA-N 1 0 508.666 5.239 50 0 KKAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCCCSC2CCCCC2)CC1 ZINC000009731788 553302665 /nfs/dbraw/zinc/30/26/65/553302665.db2.gz QOXJYUFONYQHHH-UHFFFAOYSA-N 1 0 534.564 6.197 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777096 553306441 /nfs/dbraw/zinc/30/64/41/553306441.db2.gz MMGSDEJBZZSCTN-UHFFFAOYSA-N 1 0 520.004 6.848 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836117 553310478 /nfs/dbraw/zinc/31/04/78/553310478.db2.gz RBBJCOWHMYNFJU-LOYHVIPDSA-N 1 0 531.672 5.553 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000009907999 553316515 /nfs/dbraw/zinc/31/65/15/553316515.db2.gz RJBLPOMXXRBNEE-UHFFFAOYSA-N 1 0 502.398 5.434 50 0 KKAARO Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000011788596 553343080 /nfs/dbraw/zinc/34/30/80/553343080.db2.gz HOTBZHYHGFCUBJ-MUUNZHRXSA-N 1 0 526.681 5.864 50 0 KKAARO Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)N(C)CCc3ccccn3)CC2)c1C ZINC000011790456 553343266 /nfs/dbraw/zinc/34/32/66/553343266.db2.gz AOSRNJBDZWJSML-UHFFFAOYSA-N 1 0 554.760 5.829 50 0 KKAARO COc1ccccc1CCC(=O)N(CC[NH+](C)C)Cc1cc2ccc(SC)cc2nc1-c1cccs1 ZINC000011909957 553348629 /nfs/dbraw/zinc/34/86/29/553348629.db2.gz CENDQASCWVESAE-UHFFFAOYSA-N 1 0 519.736 6.217 50 0 KKAARO Cc1nn(C)c(C)c1[C@@H](C)[N@H+](C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910464 553348743 /nfs/dbraw/zinc/34/87/43/553348743.db2.gz ZFIBLSAZSVUPLQ-GOSISDBHSA-N 1 0 533.072 5.464 50 0 KKAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000012170472 553353242 /nfs/dbraw/zinc/35/32/42/553353242.db2.gz LTIGBEPXXOGOFS-XMMPIXPASA-N 1 0 500.639 5.020 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC1CCCCC1 ZINC000012242044 553354577 /nfs/dbraw/zinc/35/45/77/553354577.db2.gz WIAIRIGGLHJGQH-BVAGGSTKSA-N 1 0 518.752 6.552 50 0 KKAARO C[NH+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000012368310 553359818 /nfs/dbraw/zinc/35/98/18/553359818.db2.gz OGMFZOJSYPPNGN-GFCCVEGCSA-N 1 0 505.048 5.005 50 0 KKAARO CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1-c1c(F)c(F)c(NCCC[NH+](C)C)c(F)c1F ZINC000012411199 553363347 /nfs/dbraw/zinc/36/33/47/553363347.db2.gz AYEWEKAZWGXTBL-UHFFFAOYSA-N 1 0 521.540 5.246 50 0 KKAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012600324 553401396 /nfs/dbraw/zinc/40/13/96/553401396.db2.gz YJUXMKPPZOKJNL-DEOSSOPVSA-N 1 0 501.454 5.291 50 0 KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012872063 553424201 /nfs/dbraw/zinc/42/42/01/553424201.db2.gz CYIQITBIFVVIGC-FONMYUOISA-N 1 0 525.730 5.794 50 0 biogenic KKAARO COc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000013134282 553452133 /nfs/dbraw/zinc/45/21/33/553452133.db2.gz YUTZVELKXCSQGA-SANMLTNESA-N 1 0 513.465 6.538 50 0 KKAARO Brc1ccc(N=[P@](c2ccccc2)([C@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000013301185 553457826 /nfs/dbraw/zinc/45/78/26/553457826.db2.gz BHWBEBOUVXNHCN-UBOZLPQGSA-N 1 0 530.447 5.623 50 0 KKAARO S=C(Nc1cccc(Cl)c1)N(CCC[NH+]1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000013543591 553469693 /nfs/dbraw/zinc/46/96/93/553469693.db2.gz MXLFJBAJDFTZCN-UHFFFAOYSA-N 1 0 501.527 6.528 50 0 KKAARO COc1cccc(C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)c1OC ZINC000014971692 553522859 /nfs/dbraw/zinc/52/28/59/553522859.db2.gz YFLKTCBLATYIKW-UHFFFAOYSA-N 1 0 525.649 5.568 50 0 KKAARO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Oc4cccc(C[N@H+](C)Cc5ccoc5)c4)CC3)c2)n1 ZINC000014991293 553523763 /nfs/dbraw/zinc/52/37/63/553523763.db2.gz OVTQEDOVGAPPKI-UHFFFAOYSA-N 1 0 512.654 5.457 50 0 KKAARO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[N@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000014998723 553524584 /nfs/dbraw/zinc/52/45/84/553524584.db2.gz AWUMHVHXXLFJGT-HXUWFJFHSA-N 1 0 507.556 6.083 50 0 KKAARO Cc1cc(CNC(=O)COc2ccc(-c3cccs3)cc2C[NH+]2CCN(c3cccc(C)c3C)CC2)on1 ZINC000014997957 553524595 /nfs/dbraw/zinc/52/45/95/553524595.db2.gz DXZOJQFBYFUJSP-UHFFFAOYSA-N 1 0 530.694 5.346 50 0 KKAARO Cc1ccsc1C(=O)N1CCN(CCOc2ccc(C[N@@H+](C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000015000203 553524981 /nfs/dbraw/zinc/52/49/81/553524981.db2.gz QFOMGUZVHOLMKA-UHFFFAOYSA-N 1 0 514.695 5.074 50 0 KKAARO O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319050 553531535 /nfs/dbraw/zinc/53/15/35/553531535.db2.gz AJIOITYREKUSHL-KEMCIHPCSA-N 1 0 531.598 5.409 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319723 553531754 /nfs/dbraw/zinc/53/17/54/553531754.db2.gz SMXGJCRSRYGRBF-CREAGHEYSA-N 1 0 531.598 5.409 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000015934815 553542648 /nfs/dbraw/zinc/54/26/48/553542648.db2.gz RSRYHHVWRVHOGF-HSZRJFAPSA-N 1 0 535.733 5.290 50 0 KKAARO Cc1ccc(NC(=O)CSc2c(C(=O)Nc3ccc(C)cc3)[n+]3ccccc3n2-c2ccccc2)cc1 ZINC000016035280 553551990 /nfs/dbraw/zinc/55/19/90/553551990.db2.gz LRCVRJFOFCNJBZ-UHFFFAOYSA-O 1 0 507.639 5.816 50 0 KKAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3N(C)C2=O)cc1 ZINC000020179649 553603542 /nfs/dbraw/zinc/60/35/42/553603542.db2.gz XYMNTQHTHOOODE-YUMHPJSZSA-N 1 0 509.716 5.539 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)Cc1ccccc1 ZINC000020180065 553603742 /nfs/dbraw/zinc/60/37/42/553603742.db2.gz WNNKOYNRIVQAAP-MWAVMZGNSA-N 1 0 527.734 6.527 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc4ccccc43)N12 ZINC000070686498 553605321 /nfs/dbraw/zinc/60/53/21/553605321.db2.gz MBDHERZCJMVDLD-HJIQQCSTSA-N 1 0 554.694 5.671 50 0 biogenic KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000070687682 553607230 /nfs/dbraw/zinc/60/72/30/553607230.db2.gz LNKNOKKWVJWMOC-XIFFEERXSA-N 1 0 573.738 5.439 50 0 biogenic KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000019685806 553615372 /nfs/dbraw/zinc/61/53/72/553615372.db2.gz FUZMQNZACIFDBL-KYJUHHDHSA-N 1 0 652.788 7.171 50 0 biogenic,in-vitro KKAARO CCCOc1ccc([C@H]2CN3C(=O)CN(C4CC[NH+](Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070699077 553615620 /nfs/dbraw/zinc/61/56/20/553615620.db2.gz NPTNXTMTIFUQIQ-IIZRLQMASA-N 1 0 606.767 5.661 50 0 biogenic KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242600 553627523 /nfs/dbraw/zinc/62/75/23/553627523.db2.gz ANXXMCDEUUKTMT-DIPNUNPCSA-N 1 0 521.658 5.005 50 0 KKAARO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000020283026 553631676 /nfs/dbraw/zinc/63/16/76/553631676.db2.gz RUAGPHBXIRZPAH-UHFFFAOYSA-N 1 0 503.735 5.505 50 0 KKAARO Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019899213 553632557 /nfs/dbraw/zinc/63/25/57/553632557.db2.gz UVYMUTOHPNYIQC-UHFFFAOYSA-N 1 0 500.050 5.066 50 0 KKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c(C)c1 ZINC000019901520 553632905 /nfs/dbraw/zinc/63/29/05/553632905.db2.gz QVSJUZROQOEMMG-YTTGMZPUSA-N 1 0 529.728 6.771 50 0 KKAARO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c(C)c21 ZINC000070712105 553633074 /nfs/dbraw/zinc/63/30/74/553633074.db2.gz NAFXUPVWRRFMGO-JWQHQDIRSA-N 1 0 514.666 5.737 50 0 biogenic KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000019908813 553633102 /nfs/dbraw/zinc/63/31/02/553633102.db2.gz YBPYBFSAKCTPRK-JGCGQSQUSA-N 1 0 529.728 6.505 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)C2=O)c1 ZINC000020355225 553641030 /nfs/dbraw/zinc/64/10/30/553641030.db2.gz LUHITRLZEVBNGB-AWSUPERCSA-N 1 0 535.688 6.052 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355196 553641056 /nfs/dbraw/zinc/64/10/56/553641056.db2.gz WUTOPTZZKLYHRM-TZGBDOIBSA-N 1 0 537.704 6.346 50 0 KKAARO CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)CO1 ZINC000020358008 553642671 /nfs/dbraw/zinc/64/26/71/553642671.db2.gz NLCXRBUJZZGIOB-SSEXGKCCSA-N 1 0 530.763 6.566 50 0 KKAARO O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000020479288 553657743 /nfs/dbraw/zinc/65/77/43/553657743.db2.gz KMJQDIUEMINZGA-UHFFFAOYSA-N 1 0 502.614 6.073 50 0 KKAARO Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000079189935 553667655 /nfs/dbraw/zinc/66/76/55/553667655.db2.gz WRGGCYVKSFCTKI-RPLLCQBOSA-N 1 0 558.719 5.555 50 0 biogenic KKAARO COc1ccc(/C=C2\C[N@H+](Cc3ccccc3)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038093 553667948 /nfs/dbraw/zinc/66/79/48/553667948.db2.gz ZGMYKCLMCYAYHD-JRTRDWJKSA-N 1 0 515.657 6.837 50 0 KKAARO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc1C[C@H]3N(C)CC2 ZINC000082178497 553674527 /nfs/dbraw/zinc/67/45/27/553674527.db2.gz DRACRVAKPKYPSB-FQLXRVMXSA-N 1 0 682.814 6.760 50 0 KKAARO CCCCc1oc2ccc(N)cc2c1OC(=O)C(=O)Oc1ccc(OCCC[NH+](CCCC)CCCC)cc1 ZINC000085221577 553678263 /nfs/dbraw/zinc/67/82/63/553678263.db2.gz MFHTVWRTNCBWPZ-UHFFFAOYSA-N 1 0 538.685 6.540 50 0 KKAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC[NH+](C)C)C(=O)c2ccccc2Cl)c1 ZINC000085405151 553679760 /nfs/dbraw/zinc/67/97/60/553679760.db2.gz SWILITRWXZSDLL-UHFFFAOYSA-N 1 0 521.466 5.274 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104131 553688190 /nfs/dbraw/zinc/68/81/90/553688190.db2.gz HICHITIOVVNYNE-SVIHCMKNSA-N 1 0 531.741 5.793 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727891 553690976 /nfs/dbraw/zinc/69/09/76/553690976.db2.gz CCDKHTHZGUTIQZ-ZYGWBPEKSA-N 1 0 531.644 5.956 50 0 KKAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727918 553690986 /nfs/dbraw/zinc/69/09/86/553690986.db2.gz BEPMNOXZHSQAHN-CNEWXIHYSA-N 1 0 531.644 5.669 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732164 553692239 /nfs/dbraw/zinc/69/22/39/553692239.db2.gz DXMHWXSWCTUAAS-JBASAIQMSA-N 1 0 511.666 5.814 50 0 KKAARO Cc1c(Cl)cccc1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1C1CCCC1 ZINC000020734476 553693222 /nfs/dbraw/zinc/69/32/22/553693222.db2.gz XGQWEDDVVPCQMO-UHFFFAOYSA-N 1 0 501.184 7.419 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735902 553693471 /nfs/dbraw/zinc/69/34/71/553693471.db2.gz ZAFGANNZTRRUFT-JBASAIQMSA-N 1 0 527.734 6.527 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736207 553693747 /nfs/dbraw/zinc/69/37/47/553693747.db2.gz FPSGMIQCHGQJRH-ZZAQJSIPSA-N 1 0 529.681 6.110 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)C1=O ZINC000020737077 553694251 /nfs/dbraw/zinc/69/42/51/553694251.db2.gz OWZGFRRQHKPMIA-YBMXKYEKSA-N 1 0 525.718 6.279 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115134 553696677 /nfs/dbraw/zinc/69/66/77/553696677.db2.gz VEKDLAAFERIAAY-HHHXNRCGSA-N 1 0 536.742 5.237 50 0 KKAARO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020116142 553697417 /nfs/dbraw/zinc/69/74/17/553697417.db2.gz PPHULBYGHFCGID-KHHRZPJVSA-N 1 0 505.747 5.386 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020790248 553698125 /nfs/dbraw/zinc/69/81/25/553698125.db2.gz KJRGEHFACVOZQK-JGCGQSQUSA-N 1 0 529.728 6.853 50 0 KKAARO CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C3=O)cc1 ZINC000020863777 553700407 /nfs/dbraw/zinc/70/04/07/553700407.db2.gz YYXNDEXCXKDAPD-RNDKRWLGSA-N 1 0 547.788 5.534 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021163039 553709184 /nfs/dbraw/zinc/70/91/84/553709184.db2.gz MYFZSIHIDRFXCK-DNQXCXABSA-N 1 0 501.719 5.094 50 0 KKAARO C[NH+](C)/C=C1\C=C(/C=C2\c3ccccc3C(c3ccccc3)=C2c2ccccc2)C(/C=C2/c3ccccc3C(c3ccccc3)=C2c2ccccc2)=C1 ZINC000095742942 553712689 /nfs/dbraw/zinc/71/26/89/553712689.db2.gz AIGNVUSFTZNJIY-UDJVSEDJSA-N 1 0 677.891 12.411 50 0 KKAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000096281649 553737472 /nfs/dbraw/zinc/73/74/72/553737472.db2.gz LBRZPJGXUIGWBY-UHFFFAOYSA-N 1 0 509.094 5.154 50 0 KKAARO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096287406 553738367 /nfs/dbraw/zinc/73/83/67/553738367.db2.gz DGKJOTKXVBBBHA-HHHXNRCGSA-N 1 0 513.657 5.880 50 0 KKAARO O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NCC[NH+]1CCCC1 ZINC000096288728 553740614 /nfs/dbraw/zinc/74/06/14/553740614.db2.gz OJWKUDOEWOTOGA-UHFFFAOYSA-N 1 0 500.257 5.453 50 0 KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCCC[NH+]2CCN(CCO)CC2)c2ccccc12 ZINC000022456502 553742625 /nfs/dbraw/zinc/74/26/25/553742625.db2.gz ACRPQHFEZZYCJE-UHFFFAOYSA-N 1 0 567.774 6.418 50 0 KKAARO FC(F)(F)c1ccc2c(c1)N(CCN1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)c1ccccc1S2 ZINC000022458384 553742651 /nfs/dbraw/zinc/74/26/51/553742651.db2.gz RCHYMUQIMHLONI-UHFFFAOYSA-N 1 0 513.673 6.750 50 0 KKAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000096298527 553748495 /nfs/dbraw/zinc/74/84/95/553748495.db2.gz LMNHSJQJTVBJIC-VTVDOTNSSA-N 1 0 513.597 5.163 50 0 KKAARO CCOC(=O)[C@H]1C[C@@H]1CN1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659966 553748821 /nfs/dbraw/zinc/74/88/21/553748821.db2.gz YJVBXGFMMSQTKM-RDGATRHJSA-N 1 0 505.486 5.306 50 0 KKAARO CCCCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096562019 553755375 /nfs/dbraw/zinc/75/53/75/553755375.db2.gz YXWMTJHZUFDDAI-PMERELPUSA-N 1 0 525.693 5.685 50 0 KKAARO CC(C)Cc1ccc([C@H](C)CC(=O)OCC(=O)NCCCOc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000096563918 553755801 /nfs/dbraw/zinc/75/58/01/553755801.db2.gz HDRXKOPORHCYMU-RUZDIDTESA-N 1 0 508.703 5.493 50 0 KKAARO CCOc1ccc(-c2nc3n(CC[NH+](CC)CC)c4ccccc4n3c2[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000096594166 553756657 /nfs/dbraw/zinc/75/66/57/553756657.db2.gz BKZGBWUZNFIUBB-QHCPKHFHSA-N 1 0 523.892 6.100 50 0 KKAARO CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000097941658 553767236 /nfs/dbraw/zinc/76/72/36/553767236.db2.gz CSLOLDNRVXHYEO-FQEVSTJZSA-N 1 0 555.517 5.719 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000097944124 553768767 /nfs/dbraw/zinc/76/87/67/553768767.db2.gz ZZAHSUXXKPZJRM-OAQYLSRUSA-N 1 0 577.748 6.156 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000097945930 553775501 /nfs/dbraw/zinc/77/55/01/553775501.db2.gz BHUMHJXUQPSAIS-HMMYKYKNSA-N 1 0 649.750 9.598 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc21 ZINC000023450933 553782260 /nfs/dbraw/zinc/78/22/60/553782260.db2.gz FZMLMAVYJVQYCB-NRFANRHFSA-N 1 0 504.675 5.055 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000097947810 553788842 /nfs/dbraw/zinc/78/88/42/553788842.db2.gz PIFQNSVTJVYAIK-UHFFFAOYSA-N 1 0 542.463 5.753 50 0 KKAARO CCOc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(OCC)cc5)nc5ccccc54)CC3)c3ccccc3n2)cc1 ZINC000097949294 553801149 /nfs/dbraw/zinc/80/11/49/553801149.db2.gz JJDOLYIBYXVIML-UHFFFAOYSA-N 1 0 750.944 7.472 50 0 KKAARO O=C(Nc1cccc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462491 553809456 /nfs/dbraw/zinc/80/94/56/553809456.db2.gz WNWZXPIYKLTWKS-CUBQBAPOSA-N 1 0 512.440 7.552 50 0 KKAARO CCSc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)C[C@@](C)(CC)OC3 ZINC000097954554 553824213 /nfs/dbraw/zinc/82/42/13/553824213.db2.gz ZEMCTFIMANQNMK-WJOKGBTCSA-N 1 0 544.790 6.956 50 0 KKAARO CC(C)(C)c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000097955847 553834710 /nfs/dbraw/zinc/83/47/10/553834710.db2.gz SWCZWAILZSSNKJ-UHFFFAOYSA-N 1 0 536.123 7.259 50 0 KKAARO c1nn2c(nc(-c3ccccc3)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000027585893 553835598 /nfs/dbraw/zinc/83/55/98/553835598.db2.gz MKGQNMKRDPWZTO-UHFFFAOYSA-N 1 0 521.668 6.975 50 0 KKAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2N(C)C1=O ZINC000029749943 553853176 /nfs/dbraw/zinc/85/31/76/553853176.db2.gz UAMLDPACNHEPMS-ZTKZIYFRSA-N 1 0 577.150 5.400 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354945 553932090 /nfs/dbraw/zinc/93/20/90/553932090.db2.gz WDJNIEADSJLIEA-CREAGHEYSA-N 1 0 548.053 5.923 50 0 KKAARO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000033354997 553932665 /nfs/dbraw/zinc/93/26/65/553932665.db2.gz OUNJCHWZWVJYTM-VXMMQGHHSA-N 1 0 548.042 5.102 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000033355696 553936322 /nfs/dbraw/zinc/93/63/22/553936322.db2.gz COUHLFJHQDMRMA-XZWHSSHBSA-N 1 0 560.739 5.439 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)c3c(-c4ccco4)cnc4ccccc43)ccc2[nH+]c2c1CCCC2 ZINC000033356873 553945131 /nfs/dbraw/zinc/94/51/31/553945131.db2.gz MPDSXWXOXGKDPU-UHFFFAOYSA-N 1 0 540.623 7.926 50 0 KKAARO CCCC[C@H](CC)C(=O)N(CC[NH+]1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000033793174 553974126 /nfs/dbraw/zinc/97/41/26/553974126.db2.gz RCACJCGFJQZDJG-VWLOTQADSA-N 1 0 515.739 5.865 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671615 553982345 /nfs/dbraw/zinc/98/23/45/553982345.db2.gz AXSHSLGNMFARCU-SAIUNTKASA-N 1 0 519.689 6.054 50 0 KKAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC ZINC000034681646 553985111 /nfs/dbraw/zinc/98/51/11/553985111.db2.gz KLDXFAQWOMKYRV-UHFFFAOYSA-N 1 0 532.685 5.370 50 0 KKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681611 553985184 /nfs/dbraw/zinc/98/51/84/553985184.db2.gz OAGUTJZVRQVGBD-UHFFFAOYSA-N 1 0 522.493 6.084 50 0 KKAARO COc1ccc(C[N@H+](C[C@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697099 553991061 /nfs/dbraw/zinc/99/10/61/553991061.db2.gz FMRDMGHVPJEUGY-NDEPHWFRSA-N 1 0 526.605 5.157 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698832 553991476 /nfs/dbraw/zinc/99/14/76/553991476.db2.gz QLKVBXMNISXUHE-PDDLMNHVSA-N 1 0 528.668 6.554 50 0 KKAARO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698737 553991542 /nfs/dbraw/zinc/99/15/42/553991542.db2.gz SDKSCOATSSTLML-YWEHKCAJSA-N 1 0 512.591 6.919 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699127 553991929 /nfs/dbraw/zinc/99/19/29/553991929.db2.gz ROTDXEFQIGLLJT-ATIYNZHBSA-N 1 0 501.568 6.187 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698856 553991958 /nfs/dbraw/zinc/99/19/58/553991958.db2.gz UMDXQFSJIDKGJV-POURPWNDSA-N 1 0 501.114 7.339 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699320 553992329 /nfs/dbraw/zinc/99/23/29/553992329.db2.gz XATDTIHUKUFJHF-RBJSKKJNSA-N 1 0 514.563 6.117 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699326 553992360 /nfs/dbraw/zinc/99/23/60/553992360.db2.gz NEKMJQLHAZFCCA-SETSBSEESA-N 1 0 506.618 5.116 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699161 553992384 /nfs/dbraw/zinc/99/23/84/553992384.db2.gz QUHIANOGRRULSF-LSYYVWMOSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc1 ZINC000034699142 553992440 /nfs/dbraw/zinc/99/24/40/553992440.db2.gz RDXPOVJIZRZKQZ-NAKRPHOHSA-N 1 0 512.591 6.919 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000034716820 553995618 /nfs/dbraw/zinc/99/56/18/553995618.db2.gz GDURILCLJKJVSR-TZRRMPRUSA-N 1 0 501.042 5.195 50 0 KKAARO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716818 553995725 /nfs/dbraw/zinc/99/57/25/553995725.db2.gz UXUMWYGVNIKARA-VSGBNLITSA-N 1 0 520.092 5.738 50 0 KKAARO CCOc1cc([C@H]2[NH2+]C[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982274 554000562 /nfs/dbraw/zinc/00/05/62/554000562.db2.gz XABJVGMMVLQHNK-LHXZUMEBSA-N 1 0 613.552 7.620 50 0 KKAARO CCOc1cc([C@@H]2[NH2+]C[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982273 554000595 /nfs/dbraw/zinc/00/05/95/554000595.db2.gz XABJVGMMVLQHNK-UVMMSNCQSA-N 1 0 613.552 7.620 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830234 554014729 /nfs/dbraw/zinc/01/47/29/554014729.db2.gz CBVRTSPIBICAQR-SSEXGKCCSA-N 1 0 507.744 5.425 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830248 554014950 /nfs/dbraw/zinc/01/49/50/554014950.db2.gz IYXQGTVXRXKXOE-HVNZXBJASA-N 1 0 529.750 5.649 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830346 554015208 /nfs/dbraw/zinc/01/52/08/554015208.db2.gz QSZBAPLRLYFOLQ-YUDQIZAISA-N 1 0 523.702 5.530 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830347 554015272 /nfs/dbraw/zinc/01/52/72/554015272.db2.gz QSZBAPLRLYFOLQ-JHOBJCJYSA-N 1 0 523.702 5.530 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830386 554015661 /nfs/dbraw/zinc/01/56/61/554015661.db2.gz GLOXOEOMNNNGES-LXFBAYGMSA-N 1 0 501.696 5.076 50 0 KKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)[C@@H](C)CC)cc1 ZINC000034832067 554017570 /nfs/dbraw/zinc/01/75/70/554017570.db2.gz XMKAJOFJBDZBCD-QFIPXVFZSA-N 1 0 505.682 5.465 50 0 KKAARO CCc1ccc(C(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034832135 554017605 /nfs/dbraw/zinc/01/76/05/554017605.db2.gz MBALNCRMWJEXCG-UHFFFAOYSA-N 1 0 501.719 5.574 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034832192 554017963 /nfs/dbraw/zinc/01/79/63/554017963.db2.gz RZBFNMOXNKCMCJ-JOCHJYFZSA-N 1 0 506.670 5.603 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000034832167 554017979 /nfs/dbraw/zinc/01/79/79/554017979.db2.gz PSYRMSNSTGOWBN-HXUWFJFHSA-N 1 0 527.088 5.948 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832144 554018009 /nfs/dbraw/zinc/01/80/09/554018009.db2.gz CLJFHUFVWMJJDB-UHFFFAOYSA-N 1 0 508.110 5.665 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)c1ccccc1OC ZINC000034835472 554020015 /nfs/dbraw/zinc/02/00/15/554020015.db2.gz KKSXYPCZWSWDDA-UHFFFAOYSA-N 1 0 521.681 5.165 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3cccc(Cl)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835838 554020275 /nfs/dbraw/zinc/02/02/75/554020275.db2.gz AERVAWSLNOEGMQ-UHFFFAOYSA-N 1 0 511.045 5.312 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000034889646 554023427 /nfs/dbraw/zinc/02/34/27/554023427.db2.gz WPEVDETZAWKBEV-NDEPHWFRSA-N 1 0 518.076 6.606 50 0 KKAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000034912354 554029347 /nfs/dbraw/zinc/02/93/47/554029347.db2.gz VNUUXDIIEHDNQI-SANMLTNESA-N 1 0 513.604 5.216 50 0 KKAARO Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397198 554047762 /nfs/dbraw/zinc/04/77/62/554047762.db2.gz XPXUFMHUYFIMBH-UHFFFAOYSA-N 1 0 519.896 5.406 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397166 554047865 /nfs/dbraw/zinc/04/78/65/554047865.db2.gz AQFRUHORKGERBH-UHFFFAOYSA-N 1 0 504.744 6.493 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(OC)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397178 554047898 /nfs/dbraw/zinc/04/78/98/554047898.db2.gz APOAJIUZPNUUMP-UHFFFAOYSA-N 1 0 522.715 5.386 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397217 554048150 /nfs/dbraw/zinc/04/81/50/554048150.db2.gz JHTGKJQZHAFAKH-UHFFFAOYSA-N 1 0 519.896 5.488 50 0 KKAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000098000469 554051203 /nfs/dbraw/zinc/05/12/03/554051203.db2.gz XHOMBRWOUYLKAD-QHCPKHFHSA-N 1 0 656.390 7.332 50 0 KKAARO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006285 554061062 /nfs/dbraw/zinc/06/10/62/554061062.db2.gz AYVCODBACZNFIJ-SSQUWPJFSA-N 1 0 573.660 5.287 50 0 KKAARO Cc1cccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c1 ZINC000035707378 554065205 /nfs/dbraw/zinc/06/52/05/554065205.db2.gz FCDUKENTVVHQRP-UHFFFAOYSA-N 1 0 525.697 6.024 50 0 KKAARO Cc1cccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c1C ZINC000035707385 554065242 /nfs/dbraw/zinc/06/52/42/554065242.db2.gz CUHZTUARZDAUFZ-UHFFFAOYSA-N 1 0 539.724 6.332 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000035774030 554073604 /nfs/dbraw/zinc/07/36/04/554073604.db2.gz BCKMHUYGHAISMA-WUFINQPMSA-N 1 0 533.713 5.453 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Nc2cccc(Cl)c2)o1 ZINC000035809415 554077993 /nfs/dbraw/zinc/07/79/93/554077993.db2.gz RHHWIOQZZMRMCZ-UHFFFAOYSA-N 1 0 523.077 5.443 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)cc1 ZINC000035835974 554080186 /nfs/dbraw/zinc/08/01/86/554080186.db2.gz NQTIPHAAKWSMGI-SANMLTNESA-N 1 0 500.599 5.157 50 0 KKAARO CC(C)(C)c1ccc(Cn2cccc2C[N@H+](C[C@@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840719 554080380 /nfs/dbraw/zinc/08/03/80/554080380.db2.gz DSDCJVXYGNFFOM-JGCGQSQUSA-N 1 0 502.743 6.794 50 0 KKAARO CCC[C@H](O)C[N@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842604 554081165 /nfs/dbraw/zinc/08/11/65/554081165.db2.gz ZREJQSMTMUFYPT-NDEPHWFRSA-N 1 0 521.746 5.536 50 0 KKAARO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842645 554081242 /nfs/dbraw/zinc/08/12/42/554081242.db2.gz LXZYHIOHIAPBNZ-WJOKGBTCSA-N 1 0 539.764 6.351 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851499 554083427 /nfs/dbraw/zinc/08/34/27/554083427.db2.gz OQELHGRXMOMMAJ-YWWISXKNSA-N 1 0 510.106 7.698 50 0 KKAARO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871464 554085886 /nfs/dbraw/zinc/08/58/86/554085886.db2.gz LJGZUDQKQVFSON-JKJMAWGESA-N 1 0 507.600 5.488 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)c(C)c1 ZINC000098012069 554087299 /nfs/dbraw/zinc/08/72/99/554087299.db2.gz DDEPRSJVQFAWHF-JGCGQSQUSA-N 1 0 567.759 5.312 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccccc3C(F)(F)F)c[nH]c21 ZINC000035908388 554092919 /nfs/dbraw/zinc/09/29/19/554092919.db2.gz BMPNQBNGOGICRK-GBXCKJPGSA-N 1 0 501.637 6.898 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000035999595 554127329 /nfs/dbraw/zinc/12/73/29/554127329.db2.gz OQFWWIRRRIUULW-AYHHAJBCSA-N 1 0 525.649 6.584 50 0 KKAARO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CC[NH+](C(C)C)CC3)nc2)cc2c1cnn2C(C)C ZINC000098043801 554128819 /nfs/dbraw/zinc/12/88/19/554128819.db2.gz DPJNKUOXBZSZAI-UHFFFAOYSA-N 1 0 569.754 5.089 50 0 in-vitro KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007014 554131974 /nfs/dbraw/zinc/13/19/74/554131974.db2.gz AEAVFOUDTJGFPC-FFEPWHKBSA-N 1 0 505.643 6.199 50 0 KKAARO Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC[NH+](C)C)C(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000036051327 554156834 /nfs/dbraw/zinc/15/68/34/554156834.db2.gz PBBRWKCDPUZXIG-UHFFFAOYSA-N 1 0 530.072 5.452 50 0 KKAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098050488 554175001 /nfs/dbraw/zinc/17/50/01/554175001.db2.gz BGTKHNYTCPBHRG-GOSISDBHSA-N 1 0 582.223 5.154 50 0 KKAARO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1 ZINC000100004345 554177734 /nfs/dbraw/zinc/17/77/34/554177734.db2.gz DYLGFOYVTXJFJP-OXTLUBNBSA-N 1 0 528.951 9.152 50 0 fda KKAARO CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CCCC2)cc1 ZINC000036116628 554182094 /nfs/dbraw/zinc/18/20/94/554182094.db2.gz LLIAAPYILDZTRL-MUUNZHRXSA-N 1 0 537.770 5.491 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145508 554197726 /nfs/dbraw/zinc/19/77/26/554197726.db2.gz DESVDVNSWJLYTO-GDLZYMKVSA-N 1 0 513.634 5.762 50 0 KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146794 554198077 /nfs/dbraw/zinc/19/80/77/554198077.db2.gz NWXYRCUVHTYKDD-RBBKRZOGSA-N 1 0 507.389 5.298 50 0 KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146747 554198224 /nfs/dbraw/zinc/19/82/24/554198224.db2.gz YWJCPDUGNPGTHU-UNMCSNQZSA-N 1 0 507.389 5.298 50 0 KKAARO COCCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202896 554200745 /nfs/dbraw/zinc/20/07/45/554200745.db2.gz IAWOOYUEDCQTGF-UHFFFAOYSA-N 1 0 507.652 5.681 50 0 KKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302055 554211850 /nfs/dbraw/zinc/21/18/50/554211850.db2.gz UAXRSEWQUQEUOH-CUBQBAPOSA-N 1 0 529.681 6.160 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036303968 554213705 /nfs/dbraw/zinc/21/37/05/554213705.db2.gz UIXDGXAVUWETIS-AREMUKBSSA-N 1 0 505.609 6.313 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCC(C)C ZINC000036305081 554214872 /nfs/dbraw/zinc/21/48/72/554214872.db2.gz RTMPJBQYJYOANL-HSZRJFAPSA-N 1 0 502.055 5.015 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305213 554214999 /nfs/dbraw/zinc/21/49/99/554214999.db2.gz VXMCGLDDECJFSE-SANMLTNESA-N 1 0 502.058 6.348 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305596 554215160 /nfs/dbraw/zinc/21/51/60/554215160.db2.gz HTKFHQOSJUXRMI-BVAGGSTKSA-N 1 0 523.674 5.045 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306543 554215726 /nfs/dbraw/zinc/21/57/26/554215726.db2.gz NNGGGJMAAREVFY-NDEPHWFRSA-N 1 0 511.666 5.978 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307267 554215782 /nfs/dbraw/zinc/21/57/82/554215782.db2.gz SBSBNXNZKXERSP-RUZDIDTESA-N 1 0 501.602 5.670 50 0 KKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307644 554216312 /nfs/dbraw/zinc/21/63/12/554216312.db2.gz CPGBYFWCJTYAOY-AREMUKBSSA-N 1 0 503.618 5.808 50 0 KKAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309402 554217080 /nfs/dbraw/zinc/21/70/80/554217080.db2.gz XTIWKHOZTQKLTP-IAPPQJPRSA-N 1 0 536.738 5.159 50 0 KKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313656 554218937 /nfs/dbraw/zinc/21/89/37/554218937.db2.gz JZPBACIITUDIHE-VWLOTQADSA-N 1 0 500.083 6.262 50 0 KKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316113 554219680 /nfs/dbraw/zinc/21/96/80/554219680.db2.gz BCRMIDXPHJGWTF-JOCHJYFZSA-N 1 0 501.618 5.792 50 0 KKAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369521 554224165 /nfs/dbraw/zinc/22/41/65/554224165.db2.gz FGXQERORDNVKRX-CNZJKCFNSA-N 1 0 535.128 5.332 50 0 biogenic KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000100122544 554224756 /nfs/dbraw/zinc/22/47/56/554224756.db2.gz CTAJWSNPWCGOIY-YXMNTCDSSA-N 1 0 532.015 5.045 50 0 KKAARO CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccccc1 ZINC000037277361 554233292 /nfs/dbraw/zinc/23/32/92/554233292.db2.gz LIZFMKUSISNGPG-GDLZYMKVSA-N 1 0 530.757 5.446 50 0 KKAARO Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000037277495 554233333 /nfs/dbraw/zinc/23/33/33/554233333.db2.gz RHWVQAUWWFTWGE-UHFFFAOYSA-N 1 0 517.718 5.266 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](Cc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000037380123 554237249 /nfs/dbraw/zinc/23/72/49/554237249.db2.gz UWZFXCXFKLKDPX-QCENPCRXSA-N 1 0 523.765 7.341 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037524000 554250031 /nfs/dbraw/zinc/25/00/31/554250031.db2.gz CKYFFCMWEQOLFE-SHQCIBLASA-N 1 0 530.581 6.998 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4CC)CC3)s2)cc1 ZINC000038139226 554259571 /nfs/dbraw/zinc/25/95/71/554259571.db2.gz AAFSCBARLTYFOK-SANMLTNESA-N 1 0 579.815 5.327 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)CC3)s2)cc1 ZINC000038139232 554259594 /nfs/dbraw/zinc/25/95/94/554259594.db2.gz RVQRYHKCQGCGKZ-PSWAGMNNSA-N 1 0 579.815 5.040 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000038144950 554266377 /nfs/dbraw/zinc/26/63/77/554266377.db2.gz FYTBEHAACLDCSC-IZEXYCQBSA-N 1 0 583.530 5.280 50 0 biogenic KKAARO CCCCN1c2ccccc2C(C)(C)/C1=C\C=C1/CCC(/C=C/C2=[N+](CCCC)c3ccccc3C2(C)C)=C1Cl ZINC000100266084 554266931 /nfs/dbraw/zinc/26/69/31/554266931.db2.gz MUBHIWQQNGHZAY-UHFFFAOYSA-N 1 0 554.242 10.114 50 0 KKAARO OCCN1c2ccccc2S/C1=C\C=C1/CCC(/C=C/c2sc3ccccc3[n+]2CCO)=C1c1ccccc1 ZINC000100265715 554266969 /nfs/dbraw/zinc/26/69/69/554266969.db2.gz FTOAGKMBTWPBIY-UHFFFAOYSA-N 1 0 551.757 6.814 50 0 KKAARO C[C@@H](Oc1cc(-n2cnc3ccc(CN4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043154472 554297381 /nfs/dbraw/zinc/29/73/81/554297381.db2.gz ZHJGWYRLJUCMRT-QGZVFWFLSA-N 1 0 543.615 5.092 50 0 investigational KKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 ZINC000052606442 554329796 /nfs/dbraw/zinc/32/97/96/554329796.db2.gz BPJLYKRITMAKDJ-QPPBQGQZSA-N 1 0 507.059 5.277 50 0 KKAARO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCc1ccccc1)C3)Nc1ccccc1 ZINC000053292001 554332400 /nfs/dbraw/zinc/33/24/00/554332400.db2.gz OUBVCNXFBCHKHF-UHFFFAOYSA-N 1 0 552.725 5.779 50 0 KKAARO COc1cc([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356153 554344919 /nfs/dbraw/zinc/34/49/19/554344919.db2.gz SBJYLUVEUBELOW-UKJJDJLKSA-N 1 0 552.074 6.980 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000057222688 554352757 /nfs/dbraw/zinc/35/27/57/554352757.db2.gz FPXKSXGIYSOQFE-UHFFFAOYSA-N 1 0 515.654 5.245 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000057222681 554352804 /nfs/dbraw/zinc/35/28/04/554352804.db2.gz UKPDFTDBULPCIQ-UHFFFAOYSA-N 1 0 520.054 5.916 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000057222890 554353156 /nfs/dbraw/zinc/35/31/56/554353156.db2.gz FRMTXTMHGGXIPC-UHFFFAOYSA-N 1 0 522.045 5.245 50 0 KKAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccccc4)CC2)n3C)c1 ZINC000057264367 554353322 /nfs/dbraw/zinc/35/33/22/554353322.db2.gz XOECMCIOBAKSJC-UHFFFAOYSA-N 1 0 525.697 5.387 50 0 KKAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000057256240 554353442 /nfs/dbraw/zinc/35/34/42/554353442.db2.gz AWKZBTOWIATADS-UHFFFAOYSA-N 1 0 506.675 5.803 50 0 KKAARO O=C(C[NH2+]Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000057311974 554353741 /nfs/dbraw/zinc/35/37/41/554353741.db2.gz NKOAITHPRGOKKC-UHFFFAOYSA-N 1 0 512.473 5.760 50 0 KKAARO CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057314341 554354265 /nfs/dbraw/zinc/35/42/65/554354265.db2.gz UCBRIDZECGGPOG-UHFFFAOYSA-N 1 0 502.684 5.315 50 0 KKAARO COc1ccccc1NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000059524092 554405311 /nfs/dbraw/zinc/40/53/11/554405311.db2.gz SJNIFVBGQVMRTK-UHFFFAOYSA-N 1 0 570.740 6.188 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209916 554503822 /nfs/dbraw/zinc/50/38/22/554503822.db2.gz USUPLUKXTPWATJ-UHFFFAOYSA-N 1 0 578.760 5.041 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCC)[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426873 554508670 /nfs/dbraw/zinc/50/86/70/554508670.db2.gz ZGIIRWXTCHNSIL-NYDCQLBNSA-N 1 0 504.690 6.598 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@H]([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927459 554524746 /nfs/dbraw/zinc/52/47/46/554524746.db2.gz ZQUBRKJSKNTGGQ-OXCBMLQPSA-N 1 0 528.958 5.675 50 0 KKAARO O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000100927864 554524931 /nfs/dbraw/zinc/52/49/31/554524931.db2.gz XCXCTADEDYBQGZ-BVCVKUKASA-N 1 0 512.997 5.094 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2cccs2)SCC1=O ZINC000101050707 554568710 /nfs/dbraw/zinc/56/87/10/554568710.db2.gz WYGNZGQGTAHKCC-MHZLTWQESA-N 1 0 566.152 5.101 50 0 KKAARO Brc1ccc2c(c1)[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000101092048 554582886 /nfs/dbraw/zinc/58/28/86/554582886.db2.gz BUAFUNGFMOWTNA-HKBQPEDESA-N 1 0 564.527 7.652 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189623 554670282 /nfs/dbraw/zinc/67/02/82/554670282.db2.gz ZAACMHXAXWPKNY-MIZPTILZSA-N 1 0 555.719 5.673 50 0 KKAARO Cc1ccc(Nc2ncc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1Cl ZINC000101192061 554670737 /nfs/dbraw/zinc/67/07/37/554670737.db2.gz NCZZIHOZWCBBKF-UHFFFAOYSA-N 1 0 548.518 6.536 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000101192236 554670845 /nfs/dbraw/zinc/67/08/45/554670845.db2.gz UNSLLAHCOQRCMB-JOCHJYFZSA-N 1 0 557.330 5.811 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2[nH+]c2c1CCCC2 ZINC000101193364 554671337 /nfs/dbraw/zinc/67/13/37/554671337.db2.gz XQNXOWHREDOVGJ-UHFFFAOYSA-N 1 0 506.433 7.354 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202841 554673246 /nfs/dbraw/zinc/67/32/46/554673246.db2.gz KBLHILREQNVSSP-BIRRFFDLSA-N 1 0 625.597 5.054 50 0 biogenic KKAARO C[N@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205618 554675635 /nfs/dbraw/zinc/67/56/35/554675635.db2.gz DBVANVNXSDDHHB-LCKZEXAISA-N 1 0 634.777 5.149 50 0 biogenic KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216501 554683965 /nfs/dbraw/zinc/68/39/65/554683965.db2.gz BGOHGQHZNGLBBI-XIFFEERXSA-N 1 0 628.839 6.160 50 0 KKAARO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216487 554684044 /nfs/dbraw/zinc/68/40/44/554684044.db2.gz PPDMSWCLAWDKFP-PMERELPUSA-N 1 0 633.214 5.802 50 0 KKAARO COc1ccc(CC[NH2+]C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)cc1OC ZINC000101221780 554687407 /nfs/dbraw/zinc/68/74/07/554687407.db2.gz GXFMIAMBUSYTMO-PMERELPUSA-N 1 0 556.706 7.339 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000101226164 554688729 /nfs/dbraw/zinc/68/87/29/554688729.db2.gz KZKYUIVPCVBNOY-KKLWWLSJSA-N 1 0 579.716 6.344 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254831 554695491 /nfs/dbraw/zinc/69/54/91/554695491.db2.gz XQKFTIUPMXIKGB-HKBQPEDESA-N 1 0 634.246 5.668 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254815 554695537 /nfs/dbraw/zinc/69/55/37/554695537.db2.gz RFOUODKSKGQFCU-WJOKGBTCSA-N 1 0 634.246 5.668 50 0 KKAARO O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254863 554695833 /nfs/dbraw/zinc/69/58/33/554695833.db2.gz KYDREQSXADOZFY-MUUNZHRXSA-N 1 0 594.156 5.018 50 0 KKAARO Cc1cccc(C[N@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000101255899 554696771 /nfs/dbraw/zinc/69/67/71/554696771.db2.gz PCYPAXKKKZBVFE-LSYYVWMOSA-N 1 0 562.579 6.037 50 0 KKAARO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341059 554735292 /nfs/dbraw/zinc/73/52/92/554735292.db2.gz QXXSAVXKVKGEHG-XJFCNFDWSA-N 1 0 579.832 5.613 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101350993 554738007 /nfs/dbraw/zinc/73/80/07/554738007.db2.gz FSWHRNRDNANSQX-RJYGDKEGSA-N 1 0 535.644 5.107 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352151 554738502 /nfs/dbraw/zinc/73/85/02/554738502.db2.gz HCDMVSUBPVKYQB-OIDHKYIRSA-N 1 0 595.784 5.782 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386105 554750946 /nfs/dbraw/zinc/75/09/46/554750946.db2.gz ABUUUEDBHBZQHV-CPBHLAHYSA-N 1 0 594.800 7.256 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)c(OC)c1 ZINC000101386137 554751194 /nfs/dbraw/zinc/75/11/94/554751194.db2.gz HGXJHCTXYDJYPU-FKAPRUDGSA-N 1 0 572.750 5.717 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391663 554755191 /nfs/dbraw/zinc/75/51/91/554755191.db2.gz KDGHVVLSQKCCOI-MVSFAKPFSA-N 1 0 543.067 5.173 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391801 554755653 /nfs/dbraw/zinc/75/56/53/554755653.db2.gz ZRXMRYXHPCGGLA-PXJZQJOASA-N 1 0 529.482 5.414 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000101416856 554765813 /nfs/dbraw/zinc/76/58/13/554765813.db2.gz SWLGKGSICQTMQM-SJARJILFSA-N 1 0 609.767 6.227 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C[C@@H]3C(=O)N(Cc4ccccc4)[C@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425295 554768241 /nfs/dbraw/zinc/76/82/41/554768241.db2.gz UDQXSPFYAMNBHL-WXGMZPBLSA-N 1 0 578.761 5.016 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)Cc1ccccc1 ZINC000101426626 554768898 /nfs/dbraw/zinc/76/88/98/554768898.db2.gz NHYKCGISGBGUNF-LZBRRTOVSA-N 1 0 587.764 7.384 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)s2)cc1 ZINC000101447366 554774311 /nfs/dbraw/zinc/77/43/11/554774311.db2.gz BXRCEJWSZZPSEZ-UHFFFAOYSA-N 1 0 599.805 5.337 50 0 KKAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000101493566 554786312 /nfs/dbraw/zinc/78/63/12/554786312.db2.gz ZLVSAUWPXMMQQF-VAWYXSNFSA-N 1 0 594.753 5.030 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)cc3)C2=O)c1 ZINC000101506524 554790466 /nfs/dbraw/zinc/79/04/66/554790466.db2.gz NIHYNGUITOSPAO-LIQJRCSHSA-N 1 0 567.799 7.366 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)CCS3)CC1 ZINC000101506647 554790662 /nfs/dbraw/zinc/79/06/62/554790662.db2.gz IJAIVABDCBUPDI-UHFFFAOYSA-N 1 0 569.602 6.356 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)CC1 ZINC000101561628 554797363 /nfs/dbraw/zinc/79/73/63/554797363.db2.gz MIXKTKBQAVTTGW-UHFFFAOYSA-N 1 0 535.117 5.154 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(OCC)cc3)s2)CC1 ZINC000101575945 554799210 /nfs/dbraw/zinc/79/92/10/554799210.db2.gz JHFDODMROWJXGN-UHFFFAOYSA-N 1 0 567.804 5.184 50 0 KKAARO CCOc1cc2sc(N3CCC(C(=O)NCC[N@H+]([C@@H](C)CC)C4CCCCC4)CC3)nc2cc1Br ZINC000101583026 554800969 /nfs/dbraw/zinc/80/09/69/554800969.db2.gz ZYFBZBDHEUZCRW-IBGZPJMESA-N 1 0 565.622 6.223 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618519 554806654 /nfs/dbraw/zinc/80/66/54/554806654.db2.gz ZMIGMFWBUIHALR-JSOSNVBQSA-N 1 0 556.776 5.296 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618522 554806696 /nfs/dbraw/zinc/80/66/96/554806696.db2.gz ZMIGMFWBUIHALR-CONSDPRKSA-N 1 0 556.776 5.296 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101629560 554811463 /nfs/dbraw/zinc/81/14/63/554811463.db2.gz XCAKNFHKCXYTDG-USHMODERSA-N 1 0 565.114 5.287 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000101630775 554811737 /nfs/dbraw/zinc/81/17/37/554811737.db2.gz IFOMGFNIXQFTLM-ZXVVBBHZSA-N 1 0 533.097 5.367 50 0 KKAARO Cc1cc(C)c(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000101633981 554812471 /nfs/dbraw/zinc/81/24/71/554812471.db2.gz DCCBBEMSYVRCDD-UHFFFAOYSA-N 1 0 567.287 8.318 50 0 KKAARO C[N@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000101633926 554812476 /nfs/dbraw/zinc/81/24/76/554812476.db2.gz BRPXHMZLWDVQRX-UHFFFAOYSA-N 1 0 577.160 8.062 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)cc1C ZINC000101635467 554812559 /nfs/dbraw/zinc/81/25/59/554812559.db2.gz YZHQPGGVTZZYAI-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101637761 554813893 /nfs/dbraw/zinc/81/38/93/554813893.db2.gz ANQCVBILRGEJQW-VZUYHUTRSA-N 1 0 613.183 5.215 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000101661551 554821882 /nfs/dbraw/zinc/82/18/82/554821882.db2.gz WFFJKQLSEQIELF-XTEPFMGCSA-N 1 0 532.610 6.294 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101671915 554825393 /nfs/dbraw/zinc/82/53/93/554825393.db2.gz GLLHIFQTIAZWGQ-BYSIJJKSSA-N 1 0 566.872 5.970 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NC[C@@H](C)C[NH+]4CCC(C)CC4)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000101676119 554828006 /nfs/dbraw/zinc/82/80/06/554828006.db2.gz BRVVVTKAAWKESW-RUZDIDTESA-N 1 0 566.746 6.859 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101689407 554830448 /nfs/dbraw/zinc/83/04/48/554830448.db2.gz LDUGKCBIZOVDDS-ANYBSYGZSA-N 1 0 546.136 5.891 50 0 KKAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101873746 554845700 /nfs/dbraw/zinc/84/57/00/554845700.db2.gz IAMAYLFUSUVQRQ-QVWWMRLHSA-N 1 0 559.154 6.124 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000101972635 554860546 /nfs/dbraw/zinc/86/05/46/554860546.db2.gz DRGGVTOSZZUARD-XZWHSSHBSA-N 1 0 561.682 5.450 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101978799 554863401 /nfs/dbraw/zinc/86/34/01/554863401.db2.gz RKNHBRWTSPBISK-KYJUHHDHSA-N 1 0 579.210 5.975 50 0 KKAARO Cc1ccnc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3cccc(Cl)c3)C2)n1 ZINC000101980657 554863609 /nfs/dbraw/zinc/86/36/09/554863609.db2.gz UQHAQILZMCLLIY-WEDAZTSRSA-N 1 0 566.215 5.143 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000101979752 554863686 /nfs/dbraw/zinc/86/36/86/554863686.db2.gz ZNOOPHULBMEETJ-JSOSNVBQSA-N 1 0 572.775 5.309 50 0 KKAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2SCC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000101998849 554865614 /nfs/dbraw/zinc/86/56/14/554865614.db2.gz IULMLENAOIZOGL-UHFFFAOYSA-N 1 0 546.039 5.921 50 0 KKAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000102003130 554866418 /nfs/dbraw/zinc/86/64/18/554866418.db2.gz GMLZRSGKUISWLP-HKBQPEDESA-N 1 0 547.671 5.344 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102016949 554867163 /nfs/dbraw/zinc/86/71/63/554867163.db2.gz TXHJMMGIVWRCSS-UHSQPCAPSA-N 1 0 552.700 5.556 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000102045835 554870051 /nfs/dbraw/zinc/87/00/51/554870051.db2.gz QCECIXKHGRSZJC-VVFBEHOQSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccccc1F ZINC000102045858 554870069 /nfs/dbraw/zinc/87/00/69/554870069.db2.gz FBRFVEJSADWSOT-SETSBSEESA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102045866 554870178 /nfs/dbraw/zinc/87/01/78/554870178.db2.gz YMJNFVBWFLWQNT-PJTQZDKOSA-N 1 0 631.861 8.426 50 0 KKAARO COc1cccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079637 554875775 /nfs/dbraw/zinc/87/57/75/554875775.db2.gz QDUVGLSMEJDKNU-MUUNZHRXSA-N 1 0 553.703 6.348 50 0 KKAARO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084820 554876215 /nfs/dbraw/zinc/87/62/15/554876215.db2.gz XIBFRZPSRGGJAP-AREMUKBSSA-N 1 0 530.049 6.608 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099010 554880717 /nfs/dbraw/zinc/88/07/17/554880717.db2.gz QDWKNZACXBCBPP-LEAFIULHSA-N 1 0 562.598 7.738 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102102963 554882032 /nfs/dbraw/zinc/88/20/32/554882032.db2.gz XFFPCSSFGXLHQG-HKBQPEDESA-N 1 0 604.235 7.088 50 0 KKAARO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3c(F)cccc3Cl)C2)cc1 ZINC000102110690 554882588 /nfs/dbraw/zinc/88/25/88/554882588.db2.gz WCELIFPAHMUOKD-BLEYWPQWSA-N 1 0 598.228 6.192 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130331 554885251 /nfs/dbraw/zinc/88/52/51/554885251.db2.gz BKNWWFQNVJRJOF-UHFFFAOYSA-N 1 0 616.807 5.246 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4c(F)cccc4F)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135961 554887765 /nfs/dbraw/zinc/88/77/65/554887765.db2.gz JACUDBMFMXBBPT-PXDATVDWSA-N 1 0 559.579 5.670 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102174313 554891727 /nfs/dbraw/zinc/89/17/27/554891727.db2.gz SFJCXIYGNKXQLT-LOSJGSFVSA-N 1 0 556.625 5.599 50 0 KKAARO CC(C)[N@H+](CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102232394 554900288 /nfs/dbraw/zinc/90/02/88/554900288.db2.gz CHSIMEXDAZOJAR-NVMPUMLXSA-N 1 0 563.673 6.433 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244082 554903195 /nfs/dbraw/zinc/90/31/95/554903195.db2.gz GVOFBGFYZOBPBJ-UHFFFAOYSA-N 1 0 549.922 5.496 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254130 554904288 /nfs/dbraw/zinc/90/42/88/554904288.db2.gz DGBGBNJZXBYKTR-IDISGSTGSA-N 1 0 555.666 5.786 50 0 KKAARO CCn1c(=O)/c(=C\C=C2/C=CN(CC)c3ccccc32)s/c1=C/C1=[N+](CC)[C@H](c2ccccc2)[C@@H](c2ccccc2)S1 ZINC000102315735 554911569 /nfs/dbraw/zinc/91/15/69/554911569.db2.gz YKALLQKRNOWIGO-ZXXOBEJCSA-N 1 0 590.838 6.588 50 0 KKAARO Clc1ccc(CN2CC[NH+](CCCCOc3ccc(/C=C/c4ccc5cc(Cl)ccc5n4)cc3)CC2)cc1 ZINC000102318241 554911579 /nfs/dbraw/zinc/91/15/79/554911579.db2.gz YDPIHPGBBHKTCX-LFYBBSHMSA-N 1 0 546.542 7.689 50 0 KKAARO COc1ccc(CNC(=O)CC[C@H]2C[N@@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000102390168 554918716 /nfs/dbraw/zinc/91/87/16/554918716.db2.gz KMTWXCKMRIBAJI-RBJSKKJNSA-N 1 0 576.704 5.040 50 0 KKAARO COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512198 554946732 /nfs/dbraw/zinc/94/67/32/554946732.db2.gz WMPQAORGZVONAJ-NHKHRBQYSA-N 1 0 590.518 5.741 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579857 554971981 /nfs/dbraw/zinc/97/19/81/554971981.db2.gz CPFIGNUYUAEIPU-LDLOPFEMSA-N 1 0 542.706 8.868 50 0 KKAARO C(\C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)=C1\CCCc2c(-c3ccccc3)cc(-c3ccccc3)[s+]c21 ZINC000102583838 554972696 /nfs/dbraw/zinc/97/26/96/554972696.db2.gz QWCZMHPWSSHJPH-UHFFFAOYSA-N 1 0 615.887 12.763 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccc(Cl)cc1 ZINC000102605020 554978443 /nfs/dbraw/zinc/97/84/43/554978443.db2.gz DSMZLPXHWSPGAU-ZCYQVOJMSA-N 1 0 560.016 5.179 50 0 KKAARO COc1ccc(-n2ncc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102608090 554980044 /nfs/dbraw/zinc/98/00/44/554980044.db2.gz PCBDBMQEBGHLFO-UHFFFAOYSA-N 1 0 601.792 5.946 50 0 KKAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102664263 555001121 /nfs/dbraw/zinc/00/11/21/555001121.db2.gz DEXFPUZLJYSAEO-YUUFSVGYSA-N 1 0 527.624 5.417 50 0 KKAARO CC1CC[NH+](CCCNC(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1 ZINC000102684962 555006830 /nfs/dbraw/zinc/00/68/30/555006830.db2.gz VMJRCRQWCFIQTO-OFWBYEQRSA-N 1 0 544.095 6.159 50 0 KKAARO O=C(COc1ccc(-c2ccsc2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000102707532 555015600 /nfs/dbraw/zinc/01/56/00/555015600.db2.gz YNHHGSQNLDFJPP-MUUNZHRXSA-N 1 0 555.700 5.072 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102720019 555019865 /nfs/dbraw/zinc/01/98/65/555019865.db2.gz ABKKAJMGWBGMKT-KLEGGGPYSA-N 1 0 553.772 6.773 50 0 KKAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102758984 555050948 /nfs/dbraw/zinc/05/09/48/555050948.db2.gz MMEYXJWKMMSECQ-RRPNLBNLSA-N 1 0 525.624 5.381 50 0 KKAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773184 555061897 /nfs/dbraw/zinc/06/18/97/555061897.db2.gz NMKQMWBVFHUUAV-PBBNMVCDSA-N 1 0 599.147 5.590 50 0 KKAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000102787653 555068016 /nfs/dbraw/zinc/06/80/16/555068016.db2.gz LAAYHHIWDDLMCX-YQCHCMBFSA-N 1 0 612.815 6.576 50 0 KKAARO CC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2Sc2ccc(Cl)cc21 ZINC000102789889 555068850 /nfs/dbraw/zinc/06/88/50/555068850.db2.gz ANDBRSDSVBQREB-UHFFFAOYSA-N 1 0 539.532 6.541 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791615 555069269 /nfs/dbraw/zinc/06/92/69/555069269.db2.gz UMYHAAGYTFKFNZ-HDPQNNAUSA-N 1 0 553.772 7.058 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102791926 555069284 /nfs/dbraw/zinc/06/92/84/555069284.db2.gz MACYPRSWFHEMQG-TZGBDOIBSA-N 1 0 553.772 7.059 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102843908 555084126 /nfs/dbraw/zinc/08/41/26/555084126.db2.gz NYUDNNDZEZYLFM-MYUZEXMDSA-N 1 0 560.522 5.905 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000102888322 555121467 /nfs/dbraw/zinc/12/14/67/555121467.db2.gz DRIHSNFSDAAMGQ-HFLBTKGNSA-N 1 0 553.540 6.013 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(/C=C/c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102936642 555164463 /nfs/dbraw/zinc/16/44/63/555164463.db2.gz XTCYTZQBJDEKDE-WPDYYXOHSA-N 1 0 586.739 9.601 50 0 KKAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000102961465 555177176 /nfs/dbraw/zinc/17/71/76/555177176.db2.gz ZVMXCDIHJSEULA-RUZDIDTESA-N 1 0 583.154 5.545 50 0 KKAARO S=c1n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000102992016 555193001 /nfs/dbraw/zinc/19/30/01/555193001.db2.gz DYCYZMODGXNZIG-UHFFFAOYSA-N 1 0 553.135 6.483 50 0 KKAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103007776 555204791 /nfs/dbraw/zinc/20/47/91/555204791.db2.gz GZYUWBPRMDNZQX-UHFFFAOYSA-N 1 0 539.701 5.938 50 0 KKAARO CCCCOc1ccc(C(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2sccc2C)Cc2ccc(F)cc2)cc1 ZINC000103021294 555212551 /nfs/dbraw/zinc/21/25/51/555212551.db2.gz FILBUWCFNWBQJP-UHFFFAOYSA-N 1 0 565.755 6.142 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024522 555214761 /nfs/dbraw/zinc/21/47/61/555214761.db2.gz WPEAQGJSUIOEGF-LJQANCHMSA-N 1 0 546.518 6.209 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025486 555215673 /nfs/dbraw/zinc/21/56/73/555215673.db2.gz ICXSSSMNKHBCHM-UHFFFAOYSA-N 1 0 546.518 6.067 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000103050374 555232713 /nfs/dbraw/zinc/23/27/13/555232713.db2.gz UTPIQTYFRDVFDJ-VWLOTQADSA-N 1 0 536.072 5.559 50 0 KKAARO Cc1ccc(C)c(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000103086303 555264967 /nfs/dbraw/zinc/26/49/67/555264967.db2.gz FSAOBQLSQDAJBT-UHFFFAOYSA-N 1 0 534.531 7.327 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@H](OCc3ccc(F)cc3)[C@@H]2O1 ZINC000103124836 555292760 /nfs/dbraw/zinc/29/27/60/555292760.db2.gz NWIYZRWWUWVYGA-DEJVGURISA-N 1 0 594.646 5.211 50 0 KKAARO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000103159381 555320345 /nfs/dbraw/zinc/32/03/45/555320345.db2.gz AUXVSVOKUCWCRJ-MHZLTWQESA-N 1 0 517.699 5.092 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000103176412 555327396 /nfs/dbraw/zinc/32/73/96/555327396.db2.gz OMTUQBZKIPMJMO-PMERELPUSA-N 1 0 555.763 6.189 50 0 KKAARO O=C(c1cccnc1Cl)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301596 555355809 /nfs/dbraw/zinc/35/58/09/555355809.db2.gz UCRAIYNHBOWGOB-OFVILXPXSA-N 1 0 529.006 5.432 50 0 KKAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCc3ccccc3)CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000103322934 555358661 /nfs/dbraw/zinc/35/86/61/555358661.db2.gz SUWYXWZUHFGCAW-UHFFFAOYSA-N 1 0 542.062 5.281 50 0 KKAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cn3)CC2)c(OC)c1OC ZINC000103339989 555361540 /nfs/dbraw/zinc/36/15/40/555361540.db2.gz IKBDAJITXDSBNB-UHFFFAOYSA-N 1 0 559.589 5.483 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103349742 555362820 /nfs/dbraw/zinc/36/28/20/555362820.db2.gz BDSMPTUMRGBFOS-UHFFFAOYSA-N 1 0 544.597 5.677 50 0 KKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000103363022 555365220 /nfs/dbraw/zinc/36/52/20/555365220.db2.gz HNWYPQMPLZHZNV-RBBQXQBVSA-N 1 0 590.809 7.236 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363259 555365299 /nfs/dbraw/zinc/36/52/99/555365299.db2.gz KIKISGOANDWTGW-PPHZAIPVSA-N 1 0 541.092 5.643 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000103371479 555367005 /nfs/dbraw/zinc/36/70/05/555367005.db2.gz NGASOUXKYSJPEM-HKBQPEDESA-N 1 0 588.177 5.657 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103371405 555367080 /nfs/dbraw/zinc/36/70/80/555367080.db2.gz UTALXVGLSLOJFH-NDEPHWFRSA-N 1 0 580.179 5.410 50 0 KKAARO CN(c1ccc(NC(=O)c2cccs2)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000103389513 555375721 /nfs/dbraw/zinc/37/57/21/555375721.db2.gz LWSFVCQDDRYXIE-UHFFFAOYSA-N 1 0 577.770 7.037 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@H]([NH+]3CCCCC3)C[C@H]12 ZINC000103405384 555391536 /nfs/dbraw/zinc/39/15/36/555391536.db2.gz LJTNWWMZYNJDLT-SCTDOJESSA-N 1 0 507.476 5.238 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103405497 555391833 /nfs/dbraw/zinc/39/18/33/555391833.db2.gz CSTFUZXEARCNQU-XTEPFMGCSA-N 1 0 549.900 5.759 50 0 KKAARO C(/C=C\c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1)=C1N(c2ccccn2)c2ccccc2N1c1ccccn1 ZINC000103438594 555418766 /nfs/dbraw/zinc/41/87/66/555418766.db2.gz VBRIBWFNKUHWDG-UHFFFAOYSA-N 1 0 583.679 7.332 50 0 KKAARO C[C@H]1S[C@@]2(c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000103555551 555445785 /nfs/dbraw/zinc/44/57/85/555445785.db2.gz HTSLORJIJDNBKV-IIMAJNMQSA-N 1 0 532.109 5.920 50 0 KKAARO C[C@@H]1S[C@@]2(c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000103555556 555445897 /nfs/dbraw/zinc/44/58/97/555445897.db2.gz HTSLORJIJDNBKV-URAOTHONSA-N 1 0 532.109 5.920 50 0 KKAARO c1ccc(-c2ccc([C@@H](c3ccccc3)N3CC[NH+]([C@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625593 555457638 /nfs/dbraw/zinc/45/76/38/555457638.db2.gz GPNHYCAEFDGVBC-NCRNUEESSA-N 1 0 570.780 9.517 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000103630409 555459839 /nfs/dbraw/zinc/45/98/39/555459839.db2.gz QTPIRISVPQRERJ-UHIXBXOBSA-N 1 0 547.696 5.251 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000103689773 555462507 /nfs/dbraw/zinc/46/25/07/555462507.db2.gz SZPXDUXKOUOUOC-FJRCWILLSA-N 1 0 561.707 5.108 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000104797776 562825130 /nfs/dbraw/zinc/82/51/30/562825130.db2.gz JONCTUOIKOGBBK-UHIXBXOBSA-N 1 0 564.151 5.765 50 0 KKAARO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148723177 562841694 /nfs/dbraw/zinc/84/16/94/562841694.db2.gz AILRADAXUVEEIR-UHFFFAOYSA-N 1 0 584.105 5.090 50 0 fda KKAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230067013 562881059 /nfs/dbraw/zinc/88/10/59/562881059.db2.gz CBKPNMDLZXYGLC-IHLOFXLRSA-N 1 0 531.672 5.553 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000104147872 571375358 /nfs/dbraw/zinc/37/53/58/571375358.db2.gz JSXFFODNDGTNRL-JCGBMYGUSA-N 1 0 574.766 5.336 50 0 KKAARO COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000104776073 571385987 /nfs/dbraw/zinc/38/59/87/571385987.db2.gz ZFVJONGWMAEUMW-MEYXWREJSA-N 1 0 552.760 5.080 50 0 KKAARO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(Cc3cc(C)ccc3C)[C@H](C)c3ccccc3)n2)C1 ZINC000104966723 571388617 /nfs/dbraw/zinc/38/86/17/571388617.db2.gz AIPNSURLKHRODG-NOZRDPDXSA-N 1 0 503.643 5.470 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983128 571388727 /nfs/dbraw/zinc/38/87/27/571388727.db2.gz LVSXRMMZNVYCJR-IZZNHLLZSA-N 1 0 516.535 5.417 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984712 571388764 /nfs/dbraw/zinc/38/87/64/571388764.db2.gz OGYHAFLRQKSIBR-DNQXCXABSA-N 1 0 533.883 6.220 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983132 571388797 /nfs/dbraw/zinc/38/87/97/571388797.db2.gz LVSXRMMZNVYCJR-CLJLJLNGSA-N 1 0 516.535 5.417 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000105060703 571390719 /nfs/dbraw/zinc/39/07/19/571390719.db2.gz LYTUNMVFZHHQPS-IBVKSMDESA-N 1 0 508.087 5.031 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000105060452 571390839 /nfs/dbraw/zinc/39/08/39/571390839.db2.gz DGBGBNJZXBYKTR-ZBLYBZFDSA-N 1 0 555.666 5.786 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000105863843 571409084 /nfs/dbraw/zinc/40/90/84/571409084.db2.gz YZRKFWBJWMWSRQ-IBUUTRAHSA-N 1 0 570.822 6.146 50 0 KKAARO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000106533495 571412780 /nfs/dbraw/zinc/41/27/80/571412780.db2.gz ZGJNBFONRAJFJM-BQKGUSTESA-N 1 0 556.723 5.386 50 0 biogenic KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108487092 571425979 /nfs/dbraw/zinc/42/59/79/571425979.db2.gz WOMIVVVCLHIQKL-WZRZXVJZSA-N 1 0 610.843 6.777 50 0 KKAARO Clc1ccc2c(c1)C[C@H](S[C@H](CC[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800593 571426582 /nfs/dbraw/zinc/42/65/82/571426582.db2.gz FRNBINOLPGJIEE-CWTKIQHKSA-N 1 0 571.255 8.771 50 0 KKAARO O=C(Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1)OCC1CC1 ZINC000135750230 571448877 /nfs/dbraw/zinc/44/88/77/571448877.db2.gz UIJRSUUFWHDUCQ-UHFFFAOYSA-N 1 0 606.607 7.831 50 0 KKAARO O=C(c1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1)c1cccnc1 ZINC000135763443 571448883 /nfs/dbraw/zinc/44/88/83/571448883.db2.gz VSSGJWZCKQRREH-UHFFFAOYSA-N 1 0 598.587 7.498 50 0 KKAARO CC(C)n1nnc(-c2ccc(C[NH+]3CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)n1 ZINC000135785114 571449090 /nfs/dbraw/zinc/44/90/90/571449090.db2.gz AIYLNILHXQZXRN-UHFFFAOYSA-N 1 0 603.611 7.107 50 0 KKAARO Nc1cccc(C[NH+]2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000136996852 571449977 /nfs/dbraw/zinc/44/99/77/571449977.db2.gz QPJPLSCNDJJMPI-UHFFFAOYSA-N 1 0 540.504 6.214 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150346630 571460624 /nfs/dbraw/zinc/46/06/24/571460624.db2.gz XFDMPGBBAKVYPR-BNHMMOKISA-N 1 0 648.852 5.970 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389005 571471333 /nfs/dbraw/zinc/47/13/33/571471333.db2.gz UBHPSDWMVZRWEN-UHFFFAOYSA-N 1 0 672.184 10.197 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150388981 571471365 /nfs/dbraw/zinc/47/13/65/571471365.db2.gz KFCKFDDPVZPKAH-UHFFFAOYSA-N 1 0 644.130 9.516 50 0 KKAARO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389078 571471429 /nfs/dbraw/zinc/47/14/29/571471429.db2.gz VUTJPERIXRUFIU-UHFFFAOYSA-N 1 0 699.763 8.888 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000150389028 571471466 /nfs/dbraw/zinc/47/14/66/571471466.db2.gz FNJVRINYLTZDID-UHFFFAOYSA-N 1 0 641.683 8.388 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389045 571471489 /nfs/dbraw/zinc/47/14/89/571471489.db2.gz NXXNNGOVWCVDND-UHFFFAOYSA-N 1 0 676.128 8.916 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389208 571471662 /nfs/dbraw/zinc/47/16/62/571471662.db2.gz MEVLYIRINAHLLK-CAOOACKPSA-N 1 0 658.113 8.999 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396392 571476456 /nfs/dbraw/zinc/47/64/56/571476456.db2.gz ONGLMOZUNGQBJU-YTTGMZPUSA-N 1 0 692.282 5.849 50 0 KKAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCC(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418280 571486506 /nfs/dbraw/zinc/48/65/06/571486506.db2.gz WEICJVWQCDXWBM-XIFFEERXSA-N 1 0 656.849 5.938 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000150448931 571501702 /nfs/dbraw/zinc/50/17/02/571501702.db2.gz VRNBNSGAAQOZBE-QCFMCPCVSA-N 1 0 655.239 7.410 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653519 571525993 /nfs/dbraw/zinc/52/59/93/571525993.db2.gz LVQUXHKZDJLRJA-CDZUIXILSA-N 1 0 688.891 5.177 50 0 biogenic KKAARO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@@H]23)c1 ZINC000169679071 571556315 /nfs/dbraw/zinc/55/63/15/571556315.db2.gz YAFRJORLWKGUDR-BDYUSTAISA-N 1 0 509.572 5.258 50 0 KKAARO O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000169679950 571556746 /nfs/dbraw/zinc/55/67/46/571556746.db2.gz CXPHXTMJGUBBCI-AKGWNBJDSA-N 1 0 522.645 5.915 50 0 KKAARO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681812 571557765 /nfs/dbraw/zinc/55/77/65/571557765.db2.gz PCRSEICAIJDUFM-RSXGOPAZSA-N 1 0 515.526 5.163 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@@H](c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 ZINC000215705056 571585036 /nfs/dbraw/zinc/58/50/36/571585036.db2.gz YZHCZWLUIAZWEZ-WKAQUBQDSA-N 1 0 526.023 8.397 50 0 KKAARO C[C@@H](c1nnc2n1CCCC2)[NH+](CCCc1c(F)cccc1Cl)CCCc1c(F)cccc1Cl ZINC000225513170 571884046 /nfs/dbraw/zinc/88/40/46/571884046.db2.gz LXXBZMWQWYUQAI-SFHVURJKSA-N 1 0 507.456 6.828 50 0 KKAARO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C1 ZINC000299755489 572134939 /nfs/dbraw/zinc/13/49/39/572134939.db2.gz DMUARAYHMTUKQH-MHZLTWQESA-N 1 0 535.692 5.330 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000299781936 572136386 /nfs/dbraw/zinc/13/63/86/572136386.db2.gz VDKPDWXMGHWMQB-HHHXNRCGSA-N 1 0 532.688 5.877 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077493 572182675 /nfs/dbraw/zinc/18/26/75/572182675.db2.gz DXMUYWPFNJFQFJ-KYJUHHDHSA-N 1 0 529.750 6.388 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077222 572182993 /nfs/dbraw/zinc/18/29/93/572182993.db2.gz GJBGVNWKVVQVRR-VMPREFPWSA-N 1 0 515.723 6.000 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)CCC[C@@]21C ZINC000238997396 572190013 /nfs/dbraw/zinc/19/00/13/572190013.db2.gz AFNBJAYDGOHJLH-YLXTWAGZSA-N 1 0 500.727 6.744 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174499 572191880 /nfs/dbraw/zinc/19/18/80/572191880.db2.gz QDRWJGGEHHAYQU-GXCYQLGXSA-N 1 0 523.714 5.344 50 0 KKAARO COc1ccc([C@H](C)[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000245224677 572202434 /nfs/dbraw/zinc/20/24/34/572202434.db2.gz BGILIDOZSPNEAV-HLFUORHDSA-N 1 0 577.737 6.108 50 0 KKAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245279544 572224122 /nfs/dbraw/zinc/22/41/22/572224122.db2.gz HTKFHQOSJUXRMI-ZEQKJWHPSA-N 1 0 523.674 5.045 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289979 572226283 /nfs/dbraw/zinc/22/62/83/572226283.db2.gz GLOXOEOMNNNGES-QDPGVEIFSA-N 1 0 501.696 5.076 50 0 KKAARO CCCCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328800 572235217 /nfs/dbraw/zinc/23/52/17/572235217.db2.gz PSLGIHCJIOLPNM-AHKZPQOWSA-N 1 0 507.675 5.386 50 0 KKAARO CCCCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329981 572236112 /nfs/dbraw/zinc/23/61/12/572236112.db2.gz WARVGSLSCXFBEQ-XNMGPUDCSA-N 1 0 525.665 5.525 50 0 KKAARO Cc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343072 572237427 /nfs/dbraw/zinc/23/74/27/572237427.db2.gz DJLWVDRRJGUMIB-YBAOVTMCSA-N 1 0 521.060 6.619 50 0 KKAARO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490911 572242521 /nfs/dbraw/zinc/24/25/21/572242521.db2.gz MMMBVLQYOTVKMC-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494805 572242528 /nfs/dbraw/zinc/24/25/28/572242528.db2.gz NUTOGOBFQCCGMH-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725602 572243688 /nfs/dbraw/zinc/24/36/88/572243688.db2.gz DFAIJVICVRTTAU-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722630 572243721 /nfs/dbraw/zinc/24/37/21/572243721.db2.gz BPIYIYGVFWSNSR-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247757119 572244755 /nfs/dbraw/zinc/24/47/55/572244755.db2.gz XYCWWDFFYKGRHQ-SFHVURJKSA-N 1 0 507.407 5.778 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247840816 572246009 /nfs/dbraw/zinc/24/60/09/572246009.db2.gz FJVUTYANCLFBOR-QHCPKHFHSA-N 1 0 564.080 5.577 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847180 572246289 /nfs/dbraw/zinc/24/62/89/572246289.db2.gz HJMDVTOCDGYVQQ-QFIPXVFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851067 572246308 /nfs/dbraw/zinc/24/63/08/572246308.db2.gz IRNOTFKIXGHSHN-JOCHJYFZSA-N 1 0 532.063 5.379 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860854 572246593 /nfs/dbraw/zinc/24/65/93/572246593.db2.gz GAXQRHMKVHAPHF-MUUNZHRXSA-N 1 0 551.735 5.271 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864526 572246801 /nfs/dbraw/zinc/24/68/01/572246801.db2.gz NZCXCVFOHKFAFN-VWLOTQADSA-N 1 0 572.551 5.344 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861551 572246809 /nfs/dbraw/zinc/24/68/09/572246809.db2.gz MVMFKZXBAIUCFG-RUZDIDTESA-N 1 0 572.551 5.344 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861553 572246844 /nfs/dbraw/zinc/24/68/44/572246844.db2.gz MVMFKZXBAIUCFG-VWLOTQADSA-N 1 0 572.551 5.344 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864950 572246859 /nfs/dbraw/zinc/24/68/59/572246859.db2.gz IEMRVUHGKNSWMP-NDEPHWFRSA-N 1 0 551.735 5.271 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872087 572247063 /nfs/dbraw/zinc/24/70/63/572247063.db2.gz LNJGRHUKNVXOOG-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870097 572247197 /nfs/dbraw/zinc/24/71/97/572247197.db2.gz QIBNJGTUTNXQHB-XMMPIXPASA-N 1 0 596.097 6.318 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871475 572247221 /nfs/dbraw/zinc/24/72/21/572247221.db2.gz DNEXBIXDLRPVID-RUZDIDTESA-N 1 0 558.126 5.307 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881016 572247733 /nfs/dbraw/zinc/24/77/33/572247733.db2.gz RDFDXHVNHQLXEE-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877318 572247893 /nfs/dbraw/zinc/24/78/93/572247893.db2.gz PMCYWPUHFDUGMA-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879043 572248102 /nfs/dbraw/zinc/24/81/02/572248102.db2.gz VBTOWVZIGGQYLA-XMMPIXPASA-N 1 0 577.611 7.494 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894694 572248790 /nfs/dbraw/zinc/24/87/90/572248790.db2.gz OCURNWWJNVRTRC-MGBGTMOVSA-N 1 0 613.806 6.239 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899969 572249029 /nfs/dbraw/zinc/24/90/29/572249029.db2.gz YYXBDPLOLUMWHF-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949122 572250278 /nfs/dbraw/zinc/25/02/78/572250278.db2.gz RXMINRKATVJMAS-NRFANRHFSA-N 1 0 655.424 6.291 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941993 572250307 /nfs/dbraw/zinc/25/03/07/572250307.db2.gz QAAGOHJOPWRVKK-DEOSSOPVSA-N 1 0 590.555 5.588 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970116 572251265 /nfs/dbraw/zinc/25/12/65/572251265.db2.gz CVDAHIXCSIKBCL-NRFANRHFSA-N 1 0 513.608 5.197 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@H]12 ZINC000248018688 572252388 /nfs/dbraw/zinc/25/23/88/572252388.db2.gz LJTNWWMZYNJDLT-NRRYGQPISA-N 1 0 507.476 5.238 50 0 KKAARO CCCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025741 572252643 /nfs/dbraw/zinc/25/26/43/572252643.db2.gz WBYNSQPNMALRTQ-NRFANRHFSA-N 1 0 511.508 6.039 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248070505 572253150 /nfs/dbraw/zinc/25/31/50/572253150.db2.gz GSFVNNWWCSFKHF-SUYBVONHSA-N 1 0 552.656 7.844 50 0 KKAARO CC[C@H](C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084254 572253272 /nfs/dbraw/zinc/25/32/72/572253272.db2.gz KJVJFTYMPTXSBF-SETSBSEESA-N 1 0 515.723 5.259 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248117458 572254119 /nfs/dbraw/zinc/25/41/19/572254119.db2.gz VZINKNLPTWCSJS-FREGXXQWSA-N 1 0 519.104 7.478 50 0 KKAARO COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000248132592 572254714 /nfs/dbraw/zinc/25/47/14/572254714.db2.gz LOLZTPKNQFAKPE-GGVMLGSCSA-N 1 0 561.037 6.330 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000248132531 572254732 /nfs/dbraw/zinc/25/47/32/572254732.db2.gz LMOZLHGQLLMZBV-HQMQMYHNSA-N 1 0 579.027 6.469 50 0 KKAARO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132217 572254741 /nfs/dbraw/zinc/25/47/41/572254741.db2.gz LDTGQIZAYNSNJX-IBGZPJMESA-N 1 0 519.443 5.647 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132477 572254783 /nfs/dbraw/zinc/25/47/83/572254783.db2.gz LIWKFODRJVSXHM-VWLOTQADSA-N 1 0 558.126 5.307 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248140688 572255242 /nfs/dbraw/zinc/25/52/42/572255242.db2.gz PUKLYKFPAPHFDD-JXFTZBDYSA-N 1 0 556.618 5.686 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000248140451 572255281 /nfs/dbraw/zinc/25/52/81/572255281.db2.gz PMLQCFRCIHRQEF-HQMQMYHNSA-N 1 0 544.582 5.816 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154744 572255784 /nfs/dbraw/zinc/25/57/84/572255784.db2.gz YGUOXEUPVQIVIQ-SMCANUKXSA-N 1 0 512.694 6.138 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172614 572256260 /nfs/dbraw/zinc/25/62/60/572256260.db2.gz XEKMMOJCSBWSIR-VWLOTQADSA-N 1 0 525.672 5.342 50 0 KKAARO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250202 572257112 /nfs/dbraw/zinc/25/71/12/572257112.db2.gz IPGGCZWBQGQORS-IKOFWZASSA-N 1 0 566.654 5.426 50 0 KKAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262276 572257519 /nfs/dbraw/zinc/25/75/19/572257519.db2.gz RCSJLSWMZMUQPD-IRLDBZIGSA-N 1 0 517.471 5.877 50 0 KKAARO CCCCN(CCCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270725 572257601 /nfs/dbraw/zinc/25/76/01/572257601.db2.gz ZJQPMHDIWJAZIW-QFIPXVFZSA-N 1 0 525.535 6.429 50 0 KKAARO C=CC(=O)Nc1ccc(CN2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)ncc3CN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000250363839 572258916 /nfs/dbraw/zinc/25/89/16/572258916.db2.gz DVBPRWJMHURKHP-UHFFFAOYSA-N 1 0 634.741 5.261 50 0 in-vitro KKAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014932 572259834 /nfs/dbraw/zinc/25/98/34/572259834.db2.gz VCHGAFODUWOKBJ-NDEPHWFRSA-N 1 0 551.735 5.216 50 0 KKAARO CCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157704 572259905 /nfs/dbraw/zinc/25/99/05/572259905.db2.gz HLOLQXLYHLEKOA-XMMPIXPASA-N 1 0 501.074 6.541 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241535 572259933 /nfs/dbraw/zinc/25/99/33/572259933.db2.gz KIMWTZLUPPMJNU-NDEPHWFRSA-N 1 0 570.181 6.422 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253055 572259948 /nfs/dbraw/zinc/25/99/48/572259948.db2.gz LZOIFNWXAUTNQS-SANMLTNESA-N 1 0 600.605 6.472 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@H]3CC[C@H]1[C@]2(C)O ZINC000252428374 572260543 /nfs/dbraw/zinc/26/05/43/572260543.db2.gz AQGKXMYBXMXQKH-BESUOHCNSA-N 1 0 533.753 5.751 50 0 KKAARO CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000252517826 572262264 /nfs/dbraw/zinc/26/22/64/572262264.db2.gz SLSLNGFHWOQONH-FUABUCQOSA-N 1 0 544.676 6.682 50 0 KKAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000252693616 572281575 /nfs/dbraw/zinc/28/15/75/572281575.db2.gz FGXQERORDNVKRX-OWFDJSTRSA-N 1 0 535.128 5.332 50 0 KKAARO CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373743 572282197 /nfs/dbraw/zinc/28/21/97/572282197.db2.gz JZSUNOCFUSEVEY-FUABUCQOSA-N 1 0 560.675 6.517 50 0 KKAARO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000253388973 572283140 /nfs/dbraw/zinc/28/31/40/572283140.db2.gz KUGOJTZHVXDPIL-MUAVYFROSA-N 1 0 569.768 5.072 50 0 KKAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000253399580 572284777 /nfs/dbraw/zinc/28/47/77/572284777.db2.gz DCEPANGIAYBMIC-JLNKLKRXSA-N 1 0 636.834 5.115 50 0 KKAARO CC(C)OC(=O)[C@@H]1O[P@@](=O)(OC(c2ccccc2)(c2ccccc2)C23CC[NH+](CC2)CC3)O[C@@H]1C(=O)OC(C)C ZINC000253486854 572289999 /nfs/dbraw/zinc/28/99/99/572289999.db2.gz AFXPHJANXRXQPI-SVZNUHCDSA-N 1 0 571.607 5.228 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607294 572301001 /nfs/dbraw/zinc/30/10/01/572301001.db2.gz JFTFMJBDKCHXTK-GDLZYMKVSA-N 1 0 565.762 5.607 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607601 572301052 /nfs/dbraw/zinc/30/10/52/572301052.db2.gz ZDYVIJNYFJAFTP-MHZLTWQESA-N 1 0 570.181 6.422 50 0 KKAARO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@H]32)[N@H+](C)C1 ZINC000257359386 572322165 /nfs/dbraw/zinc/32/21/65/572322165.db2.gz ZXIDTTGVCKUJNE-YUDPKKRRSA-N 1 0 767.001 6.929 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000524729062 1069825008 /nfs/dbraw/zinc/82/50/08/1069825008.db2.gz BDUHBCMMMLJOBR-XTEPFMGCSA-N 1 0 546.708 5.119 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524734352 1069837981 /nfs/dbraw/zinc/83/79/81/1069837981.db2.gz VNYYKQSVMBBOAN-ZEEKBPLESA-N 1 0 583.216 7.864 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734107 1069836910 /nfs/dbraw/zinc/83/69/10/1069836910.db2.gz XKLRAYLCHHZTLR-ZGAWMTGXSA-N 1 0 592.780 6.626 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733071 1069837166 /nfs/dbraw/zinc/83/71/66/1069837166.db2.gz QMOCOFWAJPNQOL-XXKIVBBDSA-N 1 0 562.798 7.519 50 0 KKAARO O=C(Cc1cccs1)N1CCCC[C@@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102124669 1069843569 /nfs/dbraw/zinc/84/35/69/1069843569.db2.gz OBWIGMITJPMZTA-AREMUKBSSA-N 1 0 538.157 6.116 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1Cc1ccc(Cl)cc1 ZINC000102602719 1069860779 /nfs/dbraw/zinc/86/07/79/1069860779.db2.gz YUNQXHKJKOIGGQ-YTMVLYRLSA-N 1 0 542.079 5.314 50 0 KKAARO C(/C=C/C=C\C=C/c1n(-c2ccccc2)c2ccccc2[n+]1-c1ccccc1)=C1N(c2ccccc2)c2ccccc2N1c1ccccc1 ZINC000685944605 1070944396 /nfs/dbraw/zinc/94/43/96/1070944396.db2.gz FZYVADKRNQMIIG-UHFFFAOYSA-N 1 0 631.803 10.864 50 0 KKAARO C(/C=C1/C=C(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)CCC1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000685944295 1070941039 /nfs/dbraw/zinc/94/10/39/1070941039.db2.gz ISYGNDNSJKDXDU-UHFFFAOYSA-N 1 0 627.898 13.169 50 0 KKAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647609 1070952409 /nfs/dbraw/zinc/95/24/09/1070952409.db2.gz RHNIPZDOWWMUPQ-UHSQPCAPSA-N 1 0 546.708 5.531 50 0 KKAARO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1C ZINC000013424691 1070950622 /nfs/dbraw/zinc/95/06/22/1070950622.db2.gz AOLKEIWDSGWETN-BWAHOGKJSA-N 1 0 501.030 5.349 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000103941313 1071047552 /nfs/dbraw/zinc/04/75/52/1071047552.db2.gz GTFJUUHAUIMOOB-IZZNHLLZSA-N 1 0 566.702 5.067 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1cccc(Cl)c1 ZINC000299763786 1071048582 /nfs/dbraw/zinc/04/85/82/1071048582.db2.gz RVCWGBUSHWWUSI-VWXQPJPCSA-N 1 0 510.097 5.195 50 0 KKAARO Cc1cc(C)c(NC(=O)[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N(CCc3ccccc3)[C@@H]2c2cccn2C)C(C)C)c(C)c1 ZINC000575442924 1071142824 /nfs/dbraw/zinc/14/28/24/1071142824.db2.gz JULWKIKMKQMWTF-JKYYMCRXSA-N 1 0 576.785 6.727 50 0 KKAARO O=C(CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575443602 1071143632 /nfs/dbraw/zinc/14/36/32/1071143632.db2.gz WKRITZKUXUPOBS-UHFFFAOYSA-N 1 0 540.132 7.267 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c(Cc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000524729697 1071165795 /nfs/dbraw/zinc/16/57/95/1071165795.db2.gz FIDBWDDQJHSFAC-BHBYDHKZSA-N 1 0 616.799 5.914 50 0 KKAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CN1Cc1ccc(Cl)cc1 ZINC000032541030 1071189219 /nfs/dbraw/zinc/18/92/19/1071189219.db2.gz FPZMRYYUNUIXLY-KYJUHHDHSA-N 1 0 511.069 5.451 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012054965 1071216307 /nfs/dbraw/zinc/21/63/07/1071216307.db2.gz KNEZMXLRIJRJDB-UHFFFAOYSA-N 1 0 517.617 5.236 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCCO3)C2)CC1 ZINC000012327178 1071226911 /nfs/dbraw/zinc/22/69/11/1071226911.db2.gz PPQUALLNHMZHCB-XMMPIXPASA-N 1 0 514.688 5.487 50 0 KKAARO COc1cccc(OC)c1C(=O)N1CCC(Oc2cccc(C[N@H+](C)Cc3cccc4ncccc34)c2)CC1 ZINC000011783343 1071231355 /nfs/dbraw/zinc/23/13/55/1071231355.db2.gz BJAJXNOFUHBEDO-UHFFFAOYSA-N 1 0 525.649 5.568 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1 ZINC000011981983 1071234576 /nfs/dbraw/zinc/23/45/76/1071234576.db2.gz FYITYTRDDMERCW-UHFFFAOYSA-N 1 0 514.666 6.870 50 0 KKAARO C[C@@H]([NH2+]Cc1cc2cc3c(cc2nc1N1CCN(c2cccc(Cl)c2)CC1)OCO3)c1cccs1 ZINC000012246977 1071239929 /nfs/dbraw/zinc/23/99/29/1071239929.db2.gz FCCZQWUDXSQTHR-GOSISDBHSA-N 1 0 507.059 5.856 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccccc2)c1)Cc1cccc2cccnc21 ZINC000014997683 1071246739 /nfs/dbraw/zinc/24/67/39/1071246739.db2.gz YAIHBDBLJCKCOO-SSEXGKCCSA-N 1 0 507.678 6.260 50 0 KKAARO CC(C)c1ccc([C@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)[NH+]2CCCCC2)cc1 ZINC000606422242 1071275900 /nfs/dbraw/zinc/27/59/00/1071275900.db2.gz DWJKKBUSMZYCLP-NDEPHWFRSA-N 1 0 517.677 7.714 50 0 KKAARO COc1ccccc1/C=C/C[N@H+](C/C=C\c1ccccc1OC)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000606442025 1071277333 /nfs/dbraw/zinc/27/73/33/1071277333.db2.gz ACEQBKFUPFNTRW-HEYZYMFTSA-N 1 0 511.588 6.210 50 0 KKAARO CC(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256151 1071277930 /nfs/dbraw/zinc/27/79/30/1071277930.db2.gz FJJGUFVHDMRENA-UHFFFAOYSA-N 1 0 548.009 5.014 50 0 KKAARO CC(C)(C)C(=O)Oc1cccc2ccc(CN3CCC([NH+]4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618255863 1071278035 /nfs/dbraw/zinc/27/80/35/1071278035.db2.gz ASUCVJGSXAZELN-UHFFFAOYSA-N 1 0 555.645 5.387 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccncc2)C1 ZINC000200584979 1071290314 /nfs/dbraw/zinc/29/03/14/1071290314.db2.gz QKHQRCMSUJTWIR-URLMMPGGSA-N 1 0 518.661 5.117 50 0 KKAARO CCn1c(=O)/c(=C(\C=C2/Sc3cc(/C=C/c4ccccc4)ccc3N2CC)c2ccccc2)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000097983201 1072839237 /nfs/dbraw/zinc/83/92/37/1072839237.db2.gz OPWWRGCGDTXENT-CLJHIGKRSA-N 1 0 773.085 10.304 50 0 KKAARO COc1ccc(C2(C[NH2+]C[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@H](C)C[C@]6(C)[C@@H]5CC[C@@]43C)CCCC2)cc1OC ZINC000253612764 1072842451 /nfs/dbraw/zinc/84/24/51/1072842451.db2.gz UZOQIYJAFLJWLY-VPCMICHVSA-N 1 0 595.865 6.519 50 0 KKAARO Cc1cc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)n(C)n1 ZINC000015068575 1072896259 /nfs/dbraw/zinc/89/62/59/1072896259.db2.gz JDFAUVDBMBBIOF-SANMLTNESA-N 1 0 536.120 5.168 50 0 KKAARO O=C(c1ccncc1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000015006737 1072896398 /nfs/dbraw/zinc/89/63/98/1072896398.db2.gz IKMIWNXVEMWELP-MHZLTWQESA-N 1 0 519.089 5.521 50 0 KKAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)c2ccccc12 ZINC000020233384 1072898183 /nfs/dbraw/zinc/89/81/83/1072898183.db2.gz RENWPBWUYKSNJR-YZNIXAGQSA-N 1 0 511.641 5.079 50 0 KKAARO O=C(c1ccco1)N1CCCC[C@H]1CCOc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055089067 1072899212 /nfs/dbraw/zinc/89/92/12/1072899212.db2.gz SJNHBJOHQKCUMK-VWLOTQADSA-N 1 0 508.062 5.719 50 0 KKAARO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC001529513717 1072925149 /nfs/dbraw/zinc/92/51/49/1072925149.db2.gz IDKAKZRYYDCJDU-UTVJDJMLSA-N 1 0 562.513 5.303 50 0 KKAARO O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc21)N1CCOCC1 ZINC000001490366 252327763 /nfs/dbraw/zinc/32/77/63/252327763.db2.gz GUUIRIMAQGOLHT-UHFFFAOYSA-N 1 0 555.476 5.836 50 0 in-vitro KKAARO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719918 551536553 /nfs/dbraw/zinc/53/65/53/551536553.db2.gz COUQSWZIKUJZCY-GKABECNOSA-N 1 0 573.660 5.143 50 0 KKAARO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719920 551536631 /nfs/dbraw/zinc/53/66/31/551536631.db2.gz COUQSWZIKUJZCY-HVXDHRIDSA-N 1 0 573.660 5.143 50 0 KKAARO COc1ccc(N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001783729 551698776 /nfs/dbraw/zinc/69/87/76/551698776.db2.gz YSLRPKZZQWXJGE-GDLZYMKVSA-N 1 0 530.690 5.262 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000001785118 551699176 /nfs/dbraw/zinc/69/91/76/551699176.db2.gz VYGFAPDQNRVUKO-UHFFFAOYSA-N 1 0 585.594 8.201 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000001833398 551711979 /nfs/dbraw/zinc/71/19/79/551711979.db2.gz CJPYDAUMPBKTBW-HKBQPEDESA-N 1 0 508.593 6.709 50 0 biogenic KKAARO CCc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002108199 551765324 /nfs/dbraw/zinc/76/53/24/551765324.db2.gz WWKSSKMFLAIPSI-UHFFFAOYSA-N 1 0 528.494 6.621 50 0 KKAARO CC(C)c1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002108150 551765355 /nfs/dbraw/zinc/76/53/55/551765355.db2.gz FMYVLCYXLSNLQR-UHFFFAOYSA-N 1 0 542.521 7.182 50 0 KKAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[N@@H+]1CCCC[C@@H]1C ZINC000002190999 551789917 /nfs/dbraw/zinc/78/99/17/551789917.db2.gz ULVSGHLHXYPSAO-KRWDZBQOSA-N 1 0 513.432 5.869 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000002210037 551793973 /nfs/dbraw/zinc/79/39/73/551793973.db2.gz ZJZDVLOZDBWHTP-YQBGIYLHSA-N 1 0 533.697 6.816 50 0 KKAARO Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002246606 551799892 /nfs/dbraw/zinc/79/98/92/551799892.db2.gz BFIJFPAWGUSNGC-GOTSBHOMSA-N 1 0 509.766 6.046 50 0 KKAARO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(SCC[NH+]2CCCCC2)n1 ZINC000002400830 552111499 /nfs/dbraw/zinc/11/14/99/552111499.db2.gz IGABJPBWOQKHFW-UHFFFAOYSA-N 1 0 545.800 5.227 50 0 KKAARO Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)C3C(=O)C2[C@H](c2ccc(C)cc2)[NH2+][C@@H]3c2ccc(C)cc2)cc1 ZINC000002541179 552128142 /nfs/dbraw/zinc/12/81/42/552128142.db2.gz ZXBIKBZGIDVZNP-LLSWJAHXSA-N 1 0 500.686 7.193 50 0 KKAARO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3)c1ccc(Cl)cc1 ZINC000002593275 552133237 /nfs/dbraw/zinc/13/32/37/552133237.db2.gz IWGPEFPSIWCBFJ-UHFFFAOYSA-N 1 0 572.155 6.676 50 0 KKAARO COc1cc([C@@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654159 552147995 /nfs/dbraw/zinc/14/79/95/552147995.db2.gz YKDGTSAUMCIKQF-HLADLETHSA-N 1 0 563.019 8.252 50 0 KKAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000002905030 552212728 /nfs/dbraw/zinc/21/27/28/552212728.db2.gz UTVAPCQDVLRLDF-IBGZPJMESA-N 1 0 502.250 5.513 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3cc(F)ccc3F)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034071 552268520 /nfs/dbraw/zinc/26/85/20/552268520.db2.gz FPDAFXXCJALHBI-UHFFFAOYSA-N 1 0 548.706 5.899 50 0 KKAARO Cc1ccc(CN2c3cc(C(=O)NC[C@@H](C)C[NH+]4CCC(C)CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040355 552272774 /nfs/dbraw/zinc/27/27/74/552272774.db2.gz BEHRYROQOPFLNN-XMMPIXPASA-N 1 0 527.734 6.404 50 0 KKAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)cc32)c1 ZINC000003040446 552272800 /nfs/dbraw/zinc/27/28/00/552272800.db2.gz FLVLRDFXRUTUNO-UHFFFAOYSA-N 1 0 515.723 5.973 50 0 KKAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)CC1 ZINC000003054660 552279821 /nfs/dbraw/zinc/27/98/21/552279821.db2.gz GKCAVOMUKNAHAS-JJIBRWJFSA-N 1 0 528.516 5.167 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003057111 552281187 /nfs/dbraw/zinc/28/11/87/552281187.db2.gz JNTKSHBCQXACTI-TURZUDJPSA-N 1 0 501.602 5.009 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059532 552281799 /nfs/dbraw/zinc/28/17/99/552281799.db2.gz LFVVKASEIAJBHO-DCVRHQNFSA-N 1 0 530.068 5.911 50 0 KKAARO CCCC[N@H+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003138233 552293997 /nfs/dbraw/zinc/29/39/97/552293997.db2.gz JNEBZKYMWSXVAC-HNNXBMFYSA-N 1 0 547.129 6.175 50 0 KKAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003205911 552304531 /nfs/dbraw/zinc/30/45/31/552304531.db2.gz ZFCISOLEDSXKAK-LJAQVGFWSA-N 1 0 506.473 7.163 50 0 KKAARO COc1ccc([C@H](CNC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)[NH+]2CCCC2)cc1 ZINC000003504462 552390674 /nfs/dbraw/zinc/39/06/74/552390674.db2.gz GGSSFDMKZUJVAA-HKBQPEDESA-N 1 0 520.677 5.369 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccc(OC(C)C)cc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646088 552401737 /nfs/dbraw/zinc/40/17/37/552401737.db2.gz IQXFEASQZULNDK-WOJGMQOQSA-N 1 0 537.660 7.314 50 0 KKAARO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000003817234 552418554 /nfs/dbraw/zinc/41/85/54/552418554.db2.gz GSNHKUDZZFZSJB-HLMSNRGBSA-N 1 0 513.677 5.951 50 0 fda KKAARO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003816514 552418643 /nfs/dbraw/zinc/41/86/43/552418643.db2.gz FIVSJYGQAIEMOC-ZGNKEGEESA-N 1 0 500.483 5.730 50 0 fda KKAARO COCC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000003973276 552424176 /nfs/dbraw/zinc/42/41/76/552424176.db2.gz NNBGCSGCRSCFEA-UHFFFAOYSA-N 1 0 735.819 8.397 50 0 investigational KKAARO CC1(C)[C@H]2CC[C@]1(C)C[N@H+](C[C@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000004427818 552460499 /nfs/dbraw/zinc/46/04/99/552460499.db2.gz UDLROHGIZGZBJH-RSLCBRBSSA-N 1 0 534.336 6.439 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004757242 552475961 /nfs/dbraw/zinc/47/59/61/552475961.db2.gz GZALGSHCPGBAGE-PQHLKRTFSA-N 1 0 517.645 5.347 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761898 552478270 /nfs/dbraw/zinc/47/82/70/552478270.db2.gz LPYDEHCQWKPZTP-SSEXGKCCSA-N 1 0 621.754 5.297 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762143 552478749 /nfs/dbraw/zinc/47/87/49/552478749.db2.gz NKXLBZYMLIXWKW-GDLZYMKVSA-N 1 0 634.202 5.060 50 0 KKAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762166 552478754 /nfs/dbraw/zinc/47/87/54/552478754.db2.gz AGHPOXNMDMVCOD-MUUNZHRXSA-N 1 0 594.156 5.331 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762126 552478784 /nfs/dbraw/zinc/47/87/84/552478784.db2.gz VEXYMZOXVVSUFN-PMERELPUSA-N 1 0 620.219 5.672 50 0 KKAARO C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102567 552534418 /nfs/dbraw/zinc/53/44/18/552534418.db2.gz FMTODOGGTULXOJ-HSZRJFAPSA-N 1 0 528.518 6.297 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166787 552556965 /nfs/dbraw/zinc/55/69/65/552556965.db2.gz JNQYYBDKZWXQRZ-UHFFFAOYSA-N 1 0 630.103 9.208 50 0 KKAARO CCN(CC)c1ccc([C@@H]2c3ccccc3C(=O)SC3=C2CC(C)(C)CN3C(=[NH2+])Nc2ccccc2)cc1 ZINC000008385433 552990797 /nfs/dbraw/zinc/99/07/97/552990797.db2.gz WBZLNHWSJZSGKL-MUUNZHRXSA-N 1 0 524.734 7.542 50 0 KKAARO O=C(CCC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000008385617 552991151 /nfs/dbraw/zinc/99/11/51/552991151.db2.gz PBFCVRVFRZFVES-BHVANESWSA-N 1 0 544.764 7.876 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000008397009 552995970 /nfs/dbraw/zinc/99/59/70/552995970.db2.gz HUQZVZVBAHOFTA-NDEPHWFRSA-N 1 0 502.662 5.862 50 0 KKAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000008448387 553055975 /nfs/dbraw/zinc/05/59/75/553055975.db2.gz YADYCRINEZUDEG-CYBMUJFWSA-N 1 0 533.102 5.831 50 0 KKAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000008448386 553056049 /nfs/dbraw/zinc/05/60/49/553056049.db2.gz YADYCRINEZUDEG-ZDUSSCGKSA-N 1 0 533.102 5.831 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583509 553079751 /nfs/dbraw/zinc/07/97/51/553079751.db2.gz BIODQAZDEDVLGU-NRFANRHFSA-N 1 0 566.123 5.185 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583508 553079793 /nfs/dbraw/zinc/07/97/93/553079793.db2.gz BIODQAZDEDVLGU-OAQYLSRUSA-N 1 0 566.123 5.185 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000008593358 553085536 /nfs/dbraw/zinc/08/55/36/553085536.db2.gz UJBLSVRWHVOKDW-UHFFFAOYSA-N 1 0 593.127 5.308 50 0 KKAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597889 553094344 /nfs/dbraw/zinc/09/43/44/553094344.db2.gz ZCRBWOCNAMRUDA-XMMPIXPASA-N 1 0 507.078 5.481 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000008598283 553094773 /nfs/dbraw/zinc/09/47/73/553094773.db2.gz OYMYXBUFVVVRLL-RUZDIDTESA-N 1 0 545.705 5.064 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCCC1 ZINC000008626839 553104205 /nfs/dbraw/zinc/10/42/05/553104205.db2.gz GBLHKPSQAWGHOM-HNNXBMFYSA-N 1 0 545.113 5.929 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000008696043 553125524 /nfs/dbraw/zinc/12/55/24/553125524.db2.gz LDWYSZQCVJPLQB-CYTLCNBWSA-N 1 0 593.772 6.142 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696048 553125595 /nfs/dbraw/zinc/12/55/95/553125595.db2.gz ZQXVFZVLCKCNRN-DLFZDVPBSA-N 1 0 555.767 5.766 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696044 553125611 /nfs/dbraw/zinc/12/56/11/553125611.db2.gz IRTMCEUDIVAEBN-KAODMTDESA-N 1 0 606.815 6.199 50 0 KKAARO Clc1ccc2c(c1)[C@@H]1CC(c3ccc(Br)cc3)=NN1C1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000008717713 553129142 /nfs/dbraw/zinc/12/91/42/553129142.db2.gz IMTHVRJQTXXHOU-VWLOTQADSA-N 1 0 522.874 6.638 50 0 KKAARO Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717732 553129146 /nfs/dbraw/zinc/12/91/46/553129146.db2.gz MSOGOSVMOWOHIT-RUZDIDTESA-N 1 0 506.419 6.124 50 0 KKAARO Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717731 553129184 /nfs/dbraw/zinc/12/91/84/553129184.db2.gz MSOGOSVMOWOHIT-VWLOTQADSA-N 1 0 506.419 6.124 50 0 KKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743267 553133520 /nfs/dbraw/zinc/13/35/20/553133520.db2.gz TUUUWFPTILVKEV-AREMUKBSSA-N 1 0 502.456 6.472 50 0 KKAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743266 553133617 /nfs/dbraw/zinc/13/36/17/553133617.db2.gz TUUUWFPTILVKEV-SANMLTNESA-N 1 0 502.456 6.472 50 0 KKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 ZINC000008814244 553151342 /nfs/dbraw/zinc/15/13/42/553151342.db2.gz POLPKXIUQOZVJN-UHFFFAOYSA-N 1 0 513.617 5.068 50 0 KKAARO CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000008834866 553161202 /nfs/dbraw/zinc/16/12/02/553161202.db2.gz ZHOWOXRSUXEMGK-QHCPKHFHSA-N 1 0 513.432 5.231 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 ZINC000009042254 553202478 /nfs/dbraw/zinc/20/24/78/553202478.db2.gz DVYGXYXQEZBGQB-XMMPIXPASA-N 1 0 505.565 5.832 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+](CC)CC)cc1OCC ZINC000009043496 553202923 /nfs/dbraw/zinc/20/29/23/553202923.db2.gz YAWFXTKEAKVJQG-VWLOTQADSA-N 1 0 512.691 5.292 50 0 biogenic KKAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095144 553209330 /nfs/dbraw/zinc/20/93/30/553209330.db2.gz YVDQQDLUQZIAQC-IPBJYNAHSA-N 1 0 522.693 5.925 50 0 KKAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)COc5cc(C)ccc5C(C)C)ccc4n3C)CC2)cc1 ZINC000009293094 553235303 /nfs/dbraw/zinc/23/53/03/553235303.db2.gz DFWJTHKMEDZOGH-UHFFFAOYSA-N 1 0 539.724 5.696 50 0 KKAARO C[NH+](C)CCNc1nc(SCc2ccccc2)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000009425302 553259317 /nfs/dbraw/zinc/25/93/17/553259317.db2.gz ZDIYRDLPLLQDFH-UHFFFAOYSA-N 1 0 511.720 6.661 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009433194 553262969 /nfs/dbraw/zinc/26/29/69/553262969.db2.gz SDOFMFCDEVRPSV-NSOVKSMOSA-N 1 0 501.696 5.466 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433320 553263103 /nfs/dbraw/zinc/26/31/03/553263103.db2.gz NQXXNRNWPQCWOE-WDYNHAJCSA-N 1 0 533.738 6.229 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433699 553263578 /nfs/dbraw/zinc/26/35/78/553263578.db2.gz WFEMJSZDVAMTCD-VSGBNLITSA-N 1 0 519.711 5.983 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461960 553267949 /nfs/dbraw/zinc/26/79/49/553267949.db2.gz MLADYYQGAXHTPF-OAQYLSRUSA-N 1 0 509.275 6.502 50 0 KKAARO CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000009471589 553270016 /nfs/dbraw/zinc/27/00/16/553270016.db2.gz RPJZCZSYGLZFTJ-UHFFFAOYSA-N 1 0 507.729 6.233 50 0 KKAARO C[NH+](C)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009581936 553282242 /nfs/dbraw/zinc/28/22/42/553282242.db2.gz XGRIWTBEZBBMPY-MHZLTWQESA-N 1 0 521.448 5.365 50 0 KKAARO Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009609698 553287856 /nfs/dbraw/zinc/28/78/56/553287856.db2.gz GLTCLTLKDWTBCZ-UHFFFAOYSA-N 1 0 513.661 5.156 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610206 553288287 /nfs/dbraw/zinc/28/82/87/553288287.db2.gz ZNMSYJFZUIVQKQ-UHFFFAOYSA-N 1 0 509.698 5.349 50 0 KKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000009610287 553288337 /nfs/dbraw/zinc/28/83/37/553288337.db2.gz XGLONXGEQZKKIL-UHFFFAOYSA-N 1 0 509.698 5.676 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678458 553295553 /nfs/dbraw/zinc/29/55/53/553295553.db2.gz UIUUVXYBEXUDED-UHFFFAOYSA-N 1 0 510.034 5.616 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(Br)o4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777108 553306729 /nfs/dbraw/zinc/30/67/29/553306729.db2.gz LORFHNAQDNGKEO-UHFFFAOYSA-N 1 0 522.399 6.482 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000010059903 553327469 /nfs/dbraw/zinc/32/74/69/553327469.db2.gz GQUBXGOQJSGMKW-UHFFFAOYSA-N 1 0 525.605 5.031 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011783573 553342441 /nfs/dbraw/zinc/34/24/41/553342441.db2.gz XYIKLXRXLXKSGR-UHFFFAOYSA-N 1 0 569.649 6.118 50 0 KKAARO Cc1ccsc1C(=O)N1CCCC[C@@H]1CCOc1ccc(C[N@@H+](C)Cc2cccc3ncccc23)cc1 ZINC000011909869 553348646 /nfs/dbraw/zinc/34/86/46/553348646.db2.gz PWEYKJDXKJDBOG-AREMUKBSSA-N 1 0 513.707 6.701 50 0 KKAARO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2cccc(C[N@@H+](C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151869 553352432 /nfs/dbraw/zinc/35/24/32/553352432.db2.gz ITONSCGIAQEFFE-SANMLTNESA-N 1 0 512.654 5.332 50 0 KKAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000012245708 553355018 /nfs/dbraw/zinc/35/50/18/553355018.db2.gz SSHSWQGHGNRBKE-JOCHJYFZSA-N 1 0 527.690 5.076 50 0 KKAARO CCCC[NH+](CCCC)CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000012419918 553365619 /nfs/dbraw/zinc/36/56/19/553365619.db2.gz JSOSZSHYGIBSHQ-LJAQVGFWSA-N 1 0 504.675 5.931 50 0 KKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112902 553448447 /nfs/dbraw/zinc/44/84/47/553448447.db2.gz FSMQHQGANRXCGW-UHFFFAOYSA-N 1 0 517.629 6.586 50 0 KKAARO CSc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000013543585 553469741 /nfs/dbraw/zinc/46/97/41/553469741.db2.gz BMCGWOGJNBHUIB-UHFFFAOYSA-N 1 0 513.176 6.597 50 0 KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000013686431 553485367 /nfs/dbraw/zinc/48/53/67/553485367.db2.gz JOYXXXWCYAFKLT-LQSCNRDHSA-N 1 0 513.613 6.715 50 0 KKAARO CCCCc1nc2sc3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000013778921 553490192 /nfs/dbraw/zinc/49/01/92/553490192.db2.gz AMXFKSRLVOKRNC-UHFFFAOYSA-N 1 0 533.745 6.982 50 0 KKAARO COc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000014361502 553514634 /nfs/dbraw/zinc/51/46/34/553514634.db2.gz LQGRCIPGDVWFDZ-UHFFFAOYSA-N 1 0 505.486 6.500 50 0 KKAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cc(C)ccc3C)C2)cc1 ZINC000014989482 553523876 /nfs/dbraw/zinc/52/38/76/553523876.db2.gz KINHHFJXZPWLAK-SXOMAYOGSA-N 1 0 500.668 5.011 50 0 KKAARO O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319056 553531474 /nfs/dbraw/zinc/53/14/74/553531474.db2.gz AJIOITYREKUSHL-AOWZQLQLSA-N 1 0 531.598 5.409 50 0 KKAARO O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319053 553531493 /nfs/dbraw/zinc/53/14/93/553531493.db2.gz AJIOITYREKUSHL-VIVKUPLDSA-N 1 0 531.598 5.409 50 0 KKAARO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c(Cl)c3n2)c1 ZINC000015319154 553531771 /nfs/dbraw/zinc/53/17/71/553531771.db2.gz FWOKAQXKGWTQAU-APWZRJJASA-N 1 0 522.955 5.498 50 0 KKAARO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000015946336 553544400 /nfs/dbraw/zinc/54/44/00/553544400.db2.gz NERGRJNUWKEOSJ-QGZVFWFLSA-N 1 0 515.271 5.477 50 0 KKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946750 553544715 /nfs/dbraw/zinc/54/47/15/553544715.db2.gz GNCZTSGCXUIPDV-JOCHJYFZSA-N 1 0 503.712 6.231 50 0 KKAARO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1 ZINC000015946933 553544868 /nfs/dbraw/zinc/54/48/68/553544868.db2.gz VLWKWROORICRID-MRXNPFEDSA-N 1 0 512.473 5.931 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947277 553545060 /nfs/dbraw/zinc/54/50/60/553545060.db2.gz DLXBLMWWVMDSEW-INIZCTEOSA-N 1 0 501.244 5.089 50 0 KKAARO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2OC)cc1 ZINC000015947094 553545201 /nfs/dbraw/zinc/54/52/01/553545201.db2.gz AFDMQGTZOXGBRP-DEOSSOPVSA-N 1 0 507.612 5.180 50 0 KKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016382358 553561554 /nfs/dbraw/zinc/56/15/54/553561554.db2.gz HBBZQSSQDJLBIR-FQEVSTJZSA-N 1 0 511.460 5.436 50 0 KKAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 ZINC000020136058 553593414 /nfs/dbraw/zinc/59/34/14/553593414.db2.gz SWOBARGZLJVAQC-UHFFFAOYSA-N 1 0 523.637 5.445 50 0 KKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cc(Cl)ccc5C)CC4)ccc3n2)CC1 ZINC000020153625 553598261 /nfs/dbraw/zinc/59/82/61/553598261.db2.gz RAKFUIXZLQTFTQ-UHFFFAOYSA-N 1 0 523.150 5.166 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000070687952 553607822 /nfs/dbraw/zinc/60/78/22/553607822.db2.gz DTOOQGWHNXOUHN-YTTGMZPUSA-N 1 0 543.712 5.430 50 0 biogenic KKAARO CCOc1ccc(-c2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1OC ZINC000070691528 553608105 /nfs/dbraw/zinc/60/81/05/553608105.db2.gz WADOIMMPVHVVND-UHFFFAOYSA-N 1 0 534.660 6.185 50 0 biogenic KKAARO FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2n1 ZINC000020218690 553614374 /nfs/dbraw/zinc/61/43/74/553614374.db2.gz OZVSHKMTIDGDBD-UHFFFAOYSA-N 1 0 516.489 6.579 50 0 KKAARO COc1ccc(-c2nn(C)c3sc(C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)cc23)cc1OC ZINC000020233746 553619454 /nfs/dbraw/zinc/61/94/54/553619454.db2.gz LRAWENWEDYNSER-UHFFFAOYSA-N 1 0 518.683 5.269 50 0 KKAARO CC1(C)CC(NC(=O)c2ccccc2N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccc(F)cc4)N3C2=O)CC(C)(C)[NH2+]1 ZINC000070705478 553625649 /nfs/dbraw/zinc/62/56/49/553625649.db2.gz QSNBJEHSESIERJ-MFMCTBQISA-N 1 0 593.703 5.829 50 0 biogenic KKAARO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706464 553628063 /nfs/dbraw/zinc/62/80/63/553628063.db2.gz DSFLXWSYLKLABO-BAAZAXTHSA-N 1 0 556.460 5.081 50 0 biogenic KKAARO CC[NH+]1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 ZINC000072105034 553640329 /nfs/dbraw/zinc/64/03/29/553640329.db2.gz QADPYRIHXKWUSV-UHFFFAOYSA-N 1 0 560.486 5.354 50 0 investigational KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000020355163 553640732 /nfs/dbraw/zinc/64/07/32/553640732.db2.gz CZJCMDWLTIVOLN-DFKUXCBWSA-N 1 0 523.677 5.956 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355178 553640829 /nfs/dbraw/zinc/64/08/29/553640829.db2.gz DCFCDYBWGBRTPD-JBASAIQMSA-N 1 0 511.666 5.814 50 0 KKAARO COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc(OC)c1OC ZINC000020386602 553643994 /nfs/dbraw/zinc/64/39/94/553643994.db2.gz NIIMPCVNCFEEPU-NRFANRHFSA-N 1 0 526.703 5.852 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000072177062 553645657 /nfs/dbraw/zinc/64/56/57/553645657.db2.gz JVAQZMVDSSVXGG-IWIKFHKFSA-N 1 0 564.151 6.052 50 0 KKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020412832 553647476 /nfs/dbraw/zinc/64/74/76/553647476.db2.gz GTWYLOFMZBQMMT-UUEOAETPSA-N 1 0 520.664 6.130 50 0 biogenic KKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)OC1(CCCCC1)CC3 ZINC000079190299 553667610 /nfs/dbraw/zinc/66/76/10/553667610.db2.gz YCIUCRDWESOBAM-JYFHCDHNSA-N 1 0 506.687 5.443 50 0 biogenic KKAARO COc1ccc(/C=C2\C[N@H+](Cc3ccccc3)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038089 553667889 /nfs/dbraw/zinc/66/78/89/553667889.db2.gz ZGMYKCLMCYAYHD-ZSIILREHSA-N 1 0 515.657 6.837 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)CCc1ccccc1 ZINC000020726427 553690251 /nfs/dbraw/zinc/69/02/51/553690251.db2.gz JOLGBOAINDTCKZ-XHPQRKPJSA-N 1 0 506.071 5.111 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)CC(C)C ZINC000020727096 553690674 /nfs/dbraw/zinc/69/06/74/553690674.db2.gz QOXFCQJOSDCDCG-QQXSKIMKSA-N 1 0 514.135 5.940 50 0 KKAARO CC(C)[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020727063 553690684 /nfs/dbraw/zinc/69/06/84/553690684.db2.gz CNOXGLRPBGQLCZ-IMRQLAEWSA-N 1 0 520.098 5.847 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)C2=O)cc1 ZINC000020732148 553692170 /nfs/dbraw/zinc/69/21/70/553692170.db2.gz KCEVTJFTUATZRX-QJEDIVLFSA-N 1 0 537.704 6.060 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000020737784 553694667 /nfs/dbraw/zinc/69/46/67/553694667.db2.gz MKIRUQLLGFJYSE-BRPDVVIDSA-N 1 0 511.691 5.891 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1cccc(Br)c1 ZINC000089968972 553694779 /nfs/dbraw/zinc/69/47/79/553694779.db2.gz SEDMCMKNSSIVQA-NRFANRHFSA-N 1 0 507.270 5.621 50 0 KKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162402 553708669 /nfs/dbraw/zinc/70/86/69/553708669.db2.gz KSSDXBHYCAEREA-GOTSBHOMSA-N 1 0 505.682 5.209 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000021163053 553709190 /nfs/dbraw/zinc/70/91/90/553709190.db2.gz MYFZSIHIDRFXCK-ZEQRLZLVSA-N 1 0 501.719 5.094 50 0 KKAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C3=O)s1 ZINC000021522676 553710156 /nfs/dbraw/zinc/71/01/56/553710156.db2.gz VIIJNUOQAAFSPP-NPKFRGRUSA-N 1 0 526.791 5.687 50 0 KKAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C3=O)s1 ZINC000021522669 553710169 /nfs/dbraw/zinc/71/01/69/553710169.db2.gz VIIJNUOQAAFSPP-ZQLNOWDWSA-N 1 0 526.791 5.687 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2c(Br)cc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000095882467 553714435 /nfs/dbraw/zinc/71/44/35/553714435.db2.gz FGOQXYKHHNDDRL-SIFUEBAJSA-N 1 0 659.692 8.664 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000022030393 553722857 /nfs/dbraw/zinc/72/28/57/553722857.db2.gz CCGBCMYLKHZNND-LQFQNGICSA-N 1 0 560.692 8.041 50 0 KKAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189814 553727163 /nfs/dbraw/zinc/72/71/63/553727163.db2.gz ZBOLDFALAJJQAG-QVWWMRLHSA-N 1 0 510.081 6.216 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1)NCC[NH+]1CCCC1 ZINC000096275465 553732538 /nfs/dbraw/zinc/73/25/38/553732538.db2.gz ASVORZDZWZNDMU-MHZLTWQESA-N 1 0 519.611 6.442 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275560 553732776 /nfs/dbraw/zinc/73/27/76/553732776.db2.gz ZNKIZPIEHRBTDR-VAVYLYDRSA-N 1 0 513.701 6.977 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(C)cc1 ZINC000096287472 553738676 /nfs/dbraw/zinc/73/86/76/553738676.db2.gz IMDCQLHQVBEWJQ-WXGMZPBLSA-N 1 0 539.764 7.155 50 0 KKAARO Fc1ccc(-c2cc3ccccc3n2CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454854 553742749 /nfs/dbraw/zinc/74/27/49/553742749.db2.gz QJFINKUEPGZEDB-UHFFFAOYSA-N 1 0 503.665 7.245 50 0 KKAARO CCOC(=O)[C@H]1C[C@H]1CN1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659974 553748846 /nfs/dbraw/zinc/74/88/46/553748846.db2.gz YJVBXGFMMSQTKM-DHLKQENFSA-N 1 0 505.486 5.306 50 0 KKAARO Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000022801754 553751142 /nfs/dbraw/zinc/75/11/42/553751142.db2.gz MMGOAYHBAXSHTH-UHFFFAOYSA-N 1 0 543.675 5.897 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000022873006 553766169 /nfs/dbraw/zinc/76/61/69/553766169.db2.gz GYKYPNVEZQFHKU-VCTRWQRLSA-N 1 0 519.645 5.071 50 0 KKAARO CC[NH+]1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1 ZINC000022947465 553768371 /nfs/dbraw/zinc/76/83/71/553768371.db2.gz YOYUMQYGKMEWJR-JBASAIQMSA-N 1 0 540.733 5.042 50 0 KKAARO COC(=O)CCCCC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023428979 553775374 /nfs/dbraw/zinc/77/53/74/553775374.db2.gz BLJVCZMIMSXTPA-UHFFFAOYSA-N 1 0 530.591 5.223 50 0 KKAARO O=C(Cc1ccccc1)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023458978 553785032 /nfs/dbraw/zinc/78/50/32/553785032.db2.gz ACTTUQACEUUGSQ-UHFFFAOYSA-N 1 0 506.572 5.733 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000097947811 553788893 /nfs/dbraw/zinc/78/88/93/553788893.db2.gz PAUIRWJXPVAGEA-UHFFFAOYSA-N 1 0 542.463 5.510 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000097948104 553791228 /nfs/dbraw/zinc/79/12/28/553791228.db2.gz PKAWDKIYUQIIRB-UHFFFAOYSA-N 1 0 552.469 5.209 50 0 KKAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)c1cc(-c2ccc(CC)cc2)nc2ccc(Br)cc21 ZINC000097948113 553791265 /nfs/dbraw/zinc/79/12/65/553791265.db2.gz PDLIFPRJFQTLCI-QHCPKHFHSA-N 1 0 552.601 8.027 50 0 KKAARO O=C(NCCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000097948670 553795850 /nfs/dbraw/zinc/79/58/50/553795850.db2.gz SLUUUKSFYQQMOZ-UHFFFAOYSA-N 1 0 591.715 6.305 50 0 KKAARO CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC(=O)c3ccc(CC4CC[NH2+]CC4)cc3)cc2)cc1 ZINC000025150356 553796474 /nfs/dbraw/zinc/79/64/74/553796474.db2.gz WGAQPEBPMPPLTK-UHFFFAOYSA-N 1 0 520.677 5.994 50 0 KKAARO Clc1ccc(OCC[NH+](CCOc2ccc(Cl)cc2Cl)CCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000097950567 553804745 /nfs/dbraw/zinc/80/47/45/553804745.db2.gz DQTLUQKGKCCDRY-UHFFFAOYSA-N 1 0 584.154 8.446 50 0 KKAARO Cc1nc2sc3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c2c1COC(C)(C)C2 ZINC000097954252 553822670 /nfs/dbraw/zinc/82/26/70/553822670.db2.gz PZRUKCOPWCAXHQ-UHFFFAOYSA-N 1 0 535.717 6.311 50 0 KKAARO Fc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000097955291 553830693 /nfs/dbraw/zinc/83/06/93/553830693.db2.gz ZMUUQGILHLYLIZ-NSOVKSMOSA-N 1 0 546.484 7.001 50 0 KKAARO c1nn2c(nc(-c3ccccc3)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000027585988 553835526 /nfs/dbraw/zinc/83/55/26/553835526.db2.gz MXWZPUISAJYBEO-UHFFFAOYSA-N 1 0 525.656 6.418 50 0 KKAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cc(-c3ccco3)nc3ccccc32)CC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000097959770 553866123 /nfs/dbraw/zinc/86/61/23/553866123.db2.gz UYEUBXJWRATSBO-UHFFFAOYSA-N 1 0 642.760 5.861 50 0 KKAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)CC1 ZINC000097960822 553873619 /nfs/dbraw/zinc/87/36/19/553873619.db2.gz UZAFLUFWTXWRHE-RMKNXTFCSA-N 1 0 528.436 5.834 50 0 KKAARO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000097963426 553890070 /nfs/dbraw/zinc/89/00/70/553890070.db2.gz ZIOHZCXRVGJBPZ-UHFFFAOYSA-N 1 0 624.898 7.346 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963435 553890086 /nfs/dbraw/zinc/89/00/86/553890086.db2.gz UBPVCQDCMZGWDY-NHCUHLMSSA-N 1 0 608.855 6.710 50 0 KKAARO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000097966199 553907410 /nfs/dbraw/zinc/90/74/10/553907410.db2.gz KEUNRTAJJQIINB-FDDCHVKYSA-N 1 0 539.426 5.229 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000033354354 553929546 /nfs/dbraw/zinc/92/95/46/553929546.db2.gz OMLGVYMVEMVCDB-UHFFFAOYSA-N 1 0 535.475 5.240 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000033356437 553941487 /nfs/dbraw/zinc/94/14/87/553941487.db2.gz QUGGZLKACUWBPY-UHFFFAOYSA-N 1 0 559.732 5.373 50 0 KKAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000033357106 553946503 /nfs/dbraw/zinc/94/65/03/553946503.db2.gz POKDKTBFZCSEBA-MUUNZHRXSA-N 1 0 609.768 5.230 50 0 KKAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000033357108 553946534 /nfs/dbraw/zinc/94/65/34/553946534.db2.gz POKDKTBFZCSEBA-NDEPHWFRSA-N 1 0 609.768 5.230 50 0 KKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000033357441 553948288 /nfs/dbraw/zinc/94/82/88/553948288.db2.gz BNLCJXLASIINLB-RUDJBYLXSA-N 1 0 532.109 6.263 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435673 553960142 /nfs/dbraw/zinc/96/01/42/553960142.db2.gz REMYYYICRNOILH-VTTCDHFQSA-N 1 0 507.675 5.218 50 0 KKAARO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033435675 553960182 /nfs/dbraw/zinc/96/01/82/553960182.db2.gz OOABJYJUKFWDEH-LVXARBLLSA-N 1 0 528.093 5.481 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671773 553982329 /nfs/dbraw/zinc/98/23/29/553982329.db2.gz OMRZNGCHKCPVCX-CZNDPXEESA-N 1 0 522.664 6.756 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671714 553982478 /nfs/dbraw/zinc/98/24/78/553982478.db2.gz UABWLVIVSKWJTJ-JHOUSYSJSA-N 1 0 522.664 6.756 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671764 553982679 /nfs/dbraw/zinc/98/26/79/553982679.db2.gz OMRZNGCHKCPVCX-LQJZCPKCSA-N 1 0 522.664 6.756 50 0 KKAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1 ZINC000034681641 553984990 /nfs/dbraw/zinc/98/49/90/553984990.db2.gz QLDSIZHLPKDIOV-UHFFFAOYSA-N 1 0 502.659 5.361 50 0 KKAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034682839 553985432 /nfs/dbraw/zinc/98/54/32/553985432.db2.gz GHUZBSQVFFGREG-UHFFFAOYSA-N 1 0 508.590 5.172 50 0 KKAARO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681884 553985561 /nfs/dbraw/zinc/98/55/61/553985561.db2.gz BGXIWZFATUKMDG-WJOKGBTCSA-N 1 0 520.677 6.719 50 0 KKAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034683170 553985611 /nfs/dbraw/zinc/98/56/11/553985611.db2.gz UFGRNHHNZWJMCW-UHFFFAOYSA-N 1 0 522.645 6.808 50 0 KKAARO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034683724 553985980 /nfs/dbraw/zinc/98/59/80/553985980.db2.gz ADOXTOGPAFCMSH-UHFFFAOYSA-N 1 0 506.565 6.013 50 0 KKAARO O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685561 553987105 /nfs/dbraw/zinc/98/71/05/553987105.db2.gz CXPHXTMJGUBBCI-IUDBTDONSA-N 1 0 522.645 5.915 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)C4CCCC4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698107 553991049 /nfs/dbraw/zinc/99/10/49/553991049.db2.gz CNFGSVWYBVOVGZ-YIXXDRMTSA-N 1 0 515.620 5.268 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697685 553991260 /nfs/dbraw/zinc/99/12/60/553991260.db2.gz BFUDEVFTBRJZIS-YIXXDRMTSA-N 1 0 511.563 5.523 50 0 KKAARO CC[C@H](C(=O)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccccc2OC)C1)c1ccccc1 ZINC000034698557 553991635 /nfs/dbraw/zinc/99/16/35/553991635.db2.gz OORDXFYBIWXKGQ-LHHUKBANSA-N 1 0 510.722 6.386 50 0 KKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699165 553992300 /nfs/dbraw/zinc/99/23/00/553992300.db2.gz RUPCVIAPEOZQPW-HOFKKMOUSA-N 1 0 516.579 6.821 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699136 553992390 /nfs/dbraw/zinc/99/23/90/553992390.db2.gz ZPDPGUJIQJJTSK-JYFHCDHNSA-N 1 0 500.630 6.781 50 0 KKAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3scc(-c4ccccc4)c3c(=O)n1-c1ccccc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097982553 554003444 /nfs/dbraw/zinc/00/34/44/554003444.db2.gz RZDBISPGJNQJKA-UHFFFAOYSA-N 1 0 658.871 7.243 50 0 KKAARO ClC(/C=C\c1n(-c2ccccc2)c2cc3ccccc3cc2[n+]1-c1ccccc1)=C\C=C1N(c2ccccc2)c2cc3ccccc3cc2N1c1ccccc1 ZINC000097983867 554012336 /nfs/dbraw/zinc/01/23/36/554012336.db2.gz BKLJQUXQXUEILX-UHFFFAOYSA-N 1 0 740.330 13.181 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830383 554015776 /nfs/dbraw/zinc/01/57/76/554015776.db2.gz LUEMCUCYSZVCBV-IDISGSTGSA-N 1 0 522.114 5.421 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830539 554016023 /nfs/dbraw/zinc/01/60/23/554016023.db2.gz KVPAGDBGALSPGE-VPYPWEPUSA-N 1 0 513.723 5.501 50 0 KKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)CC(C)C)cc1 ZINC000034831343 554016902 /nfs/dbraw/zinc/01/69/02/554016902.db2.gz DGNAYNVUBFMIJZ-UHFFFAOYSA-N 1 0 505.682 5.323 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn2cc(-c3ccc(Oc4ccccc4)cc3)ccc2n1 ZINC000034831107 554016945 /nfs/dbraw/zinc/01/69/45/554016945.db2.gz OBXLVWZPOQXOLB-UHFFFAOYSA-N 1 0 502.618 6.188 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3cccc(Cl)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831367 554017014 /nfs/dbraw/zinc/01/70/14/554017014.db2.gz BODCKQTXAOECMP-UHFFFAOYSA-N 1 0 513.061 5.558 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3ccccc3OC)c(C)nn2-c2ccccc2)CC1 ZINC000034832111 554017709 /nfs/dbraw/zinc/01/77/09/554017709.db2.gz RWUYLCWMEZJHFQ-UHFFFAOYSA-N 1 0 503.691 5.020 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1 ZINC000034832759 554018028 /nfs/dbraw/zinc/01/80/28/554018028.db2.gz SSTWIIHHSMKSFJ-UHFFFAOYSA-N 1 0 505.597 5.597 50 0 KKAARO CCCCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C)CC2)cc1 ZINC000034834579 554018762 /nfs/dbraw/zinc/01/87/62/554018762.db2.gz FBWFMCBCAJVZDG-UHFFFAOYSA-N 1 0 535.708 5.093 50 0 KKAARO CCCCc1ccc(C(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)cc1 ZINC000034834668 554018813 /nfs/dbraw/zinc/01/88/13/554018813.db2.gz YMPITQUQMPHUPT-UHFFFAOYSA-N 1 0 515.746 5.964 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)COCc1ccccc1 ZINC000034835467 554019958 /nfs/dbraw/zinc/01/99/58/554019958.db2.gz MDYQGXDSZBVMHO-UHFFFAOYSA-N 1 0 535.708 5.060 50 0 KKAARO CCOc1ccc(NC(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000034835897 554020263 /nfs/dbraw/zinc/02/02/63/554020263.db2.gz VIGQEKUFZTVFTB-UHFFFAOYSA-N 1 0 536.696 5.691 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccc(SC)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835866 554020286 /nfs/dbraw/zinc/02/02/86/554020286.db2.gz GWNNPGTZJIVSEC-UHFFFAOYSA-N 1 0 522.694 5.380 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912476 554029479 /nfs/dbraw/zinc/02/94/79/554029479.db2.gz FANVKPPOBPTFAR-UHFFFAOYSA-N 1 0 523.121 5.530 50 0 KKAARO CCCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 ZINC000034912465 554029538 /nfs/dbraw/zinc/02/95/38/554029538.db2.gz ZLKCEZHDWBOFST-UHFFFAOYSA-N 1 0 503.731 5.785 50 0 KKAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397208 554047757 /nfs/dbraw/zinc/04/77/57/554047757.db2.gz NKKONPCRFQXWFV-UHFFFAOYSA-N 1 0 513.505 5.397 50 0 KKAARO COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397156 554047789 /nfs/dbraw/zinc/04/77/89/554047789.db2.gz AMMQEUPYIYTJEU-UHFFFAOYSA-N 1 0 513.107 5.641 50 0 KKAARO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCC[NH+]1CCCC1 ZINC000035471942 554056177 /nfs/dbraw/zinc/05/61/77/554056177.db2.gz ODZSWPJPXMVVBV-MHZLTWQESA-N 1 0 504.049 6.216 50 0 KKAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000098005989 554060315 /nfs/dbraw/zinc/06/03/15/554060315.db2.gz BMDPDQKQDWHOTJ-DZGCQCFKSA-N 1 0 527.341 5.192 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000098009754 554070773 /nfs/dbraw/zinc/07/07/73/554070773.db2.gz ADWYSNHFZBIESM-HVNZXBJASA-N 1 0 544.183 7.800 50 0 KKAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2ccc(F)cc2F)SCC1=O ZINC000098011075 554077143 /nfs/dbraw/zinc/07/71/43/554077143.db2.gz XQAKYQDCKISMPS-GDLZYMKVSA-N 1 0 596.103 5.318 50 0 KKAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccccc2Cl)o1 ZINC000035809324 554077998 /nfs/dbraw/zinc/07/79/98/554077998.db2.gz XYIFFRILYUBOAS-UHFFFAOYSA-N 1 0 522.089 5.441 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CCC ZINC000035842624 554081104 /nfs/dbraw/zinc/08/11/04/554081104.db2.gz PHKMYNFGOVKARF-MUUNZHRXSA-N 1 0 505.747 6.300 50 0 KKAARO COc1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)cc1 ZINC000035842737 554081625 /nfs/dbraw/zinc/08/16/25/554081625.db2.gz DGAZDRHPIAQPQR-UHFFFAOYSA-N 1 0 539.764 7.204 50 0 KKAARO CCOC(=O)CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000035843669 554082161 /nfs/dbraw/zinc/08/21/61/554082161.db2.gz HMUWPCVSPXTKEY-UHFFFAOYSA-N 1 0 532.512 6.100 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908057 554092379 /nfs/dbraw/zinc/09/23/79/554092379.db2.gz FQTVRXMMHLCPII-BDYUSTAISA-N 1 0 511.563 5.067 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908044 554092389 /nfs/dbraw/zinc/09/23/89/554092389.db2.gz LRNXZRZFTIELAZ-AZGAKELHSA-N 1 0 515.526 5.163 50 0 KKAARO COc1ccc(CCN(C)c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCC[NH+](C)C)cc3)n2)cc1OC ZINC000098015074 554095559 /nfs/dbraw/zinc/09/55/59/554095559.db2.gz GFGZLLOEJPSSGV-UHFFFAOYSA-N 1 0 585.774 5.423 50 0 KKAARO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC000035924661 554097092 /nfs/dbraw/zinc/09/70/92/554097092.db2.gz XUJIBUSJYAMKIQ-UHFFFAOYSA-N 1 0 508.592 5.663 50 0 KKAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000035927824 554101189 /nfs/dbraw/zinc/10/11/89/554101189.db2.gz PFWROAMRUPPQRU-UHFFFAOYSA-N 1 0 530.720 6.550 50 0 KKAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035930033 554101683 /nfs/dbraw/zinc/10/16/83/554101683.db2.gz RMIPOKIBEMMGAK-UHFFFAOYSA-N 1 0 514.008 5.179 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000098021397 554118423 /nfs/dbraw/zinc/11/84/23/554118423.db2.gz YKFYHRMKBFWPNF-CMVGPNDKSA-N 1 0 551.775 7.919 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000098021435 554118672 /nfs/dbraw/zinc/11/86/72/554118672.db2.gz RUWFQDMOEJSXPX-UHFFFAOYSA-N 1 0 544.183 7.848 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000098031711 554121125 /nfs/dbraw/zinc/12/11/25/554121125.db2.gz KUSMWQBEDHDHSG-JSOSNVBQSA-N 1 0 532.688 5.102 50 0 KKAARO C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000098045562 554132416 /nfs/dbraw/zinc/13/24/16/554132416.db2.gz KRXLQVUJIJZVAB-WJOKGBTCSA-N 1 0 615.822 6.302 50 0 KKAARO O=C(CCCC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000098045560 554132419 /nfs/dbraw/zinc/13/24/19/554132419.db2.gz SJAREMFWCBPQBK-UHFFFAOYSA-N 1 0 638.812 7.925 50 0 KKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000098047179 554147745 /nfs/dbraw/zinc/14/77/45/554147745.db2.gz XBHOIOCUZDWSAJ-NRFANRHFSA-N 1 0 548.275 5.595 50 0 KKAARO Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccccc2C)cc1C ZINC000036049466 554155480 /nfs/dbraw/zinc/15/54/80/554155480.db2.gz PAPSJHBEBQEKCW-UHFFFAOYSA-N 1 0 509.654 5.107 50 0 KKAARO Cc1nc(SCc2cccc(C(=O)NCc3ccco3)c2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000036062988 554162255 /nfs/dbraw/zinc/16/22/55/554162255.db2.gz KVHLTHQBDFFOHY-UHFFFAOYSA-N 1 0 527.694 5.231 50 0 KKAARO CC(C)(C)c1cc2cc(N(C(=O)c3ccc(S(C)(=O)=O)cc3)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000100001454 554177470 /nfs/dbraw/zinc/17/74/70/554177470.db2.gz FRPAQXZBBYMVQD-UHFFFAOYSA-N 1 0 543.733 6.180 50 0 KKAARO CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)NC(C)(C)C)cc1 ZINC000036122159 554193259 /nfs/dbraw/zinc/19/32/59/554193259.db2.gz FRVTZWBQKPAKLN-SANMLTNESA-N 1 0 540.774 5.282 50 0 KKAARO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)cc1 ZINC000036157213 554198764 /nfs/dbraw/zinc/19/87/64/554198764.db2.gz WYBKSJYIVOWGCZ-MUUNZHRXSA-N 1 0 503.589 6.332 50 0 KKAARO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)cc1 ZINC000036157208 554198786 /nfs/dbraw/zinc/19/87/86/554198786.db2.gz WYBKSJYIVOWGCZ-NDEPHWFRSA-N 1 0 503.589 6.332 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036301857 554211886 /nfs/dbraw/zinc/21/18/86/554211886.db2.gz HZYYBIFUKWIUEI-QHCPKHFHSA-N 1 0 502.055 5.633 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036301860 554212057 /nfs/dbraw/zinc/21/20/57/554212057.db2.gz HZYYBIFUKWIUEI-HSZRJFAPSA-N 1 0 502.055 5.633 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302346 554212399 /nfs/dbraw/zinc/21/23/99/554212399.db2.gz BHTWEZKQXFIGPK-MUUNZHRXSA-N 1 0 529.681 6.017 50 0 KKAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302403 554212427 /nfs/dbraw/zinc/21/24/27/554212427.db2.gz OFEBRPPTFJQPSJ-XMMPIXPASA-N 1 0 509.647 5.144 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036302837 554213016 /nfs/dbraw/zinc/21/30/16/554213016.db2.gz ZPLQYINEJRCKCA-HHHXNRCGSA-N 1 0 511.666 6.051 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305199 554214936 /nfs/dbraw/zinc/21/49/36/554214936.db2.gz HGSPAURDIGEDPN-MHZLTWQESA-N 1 0 532.084 6.323 50 0 KKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307243 554215799 /nfs/dbraw/zinc/21/57/99/554215799.db2.gz WPDHQPMIUOUXAW-AHWVRZQESA-N 1 0 511.638 5.033 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036306299 554215860 /nfs/dbraw/zinc/21/58/60/554215860.db2.gz SAZBBJRWRJAMCG-RUZDIDTESA-N 1 0 501.627 5.076 50 0 KKAARO CC(C)[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307545 554216188 /nfs/dbraw/zinc/21/61/88/554216188.db2.gz SSARQQZPHSUXDB-SANMLTNESA-N 1 0 503.618 5.807 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316070 554219500 /nfs/dbraw/zinc/21/95/00/554219500.db2.gz LAUGOIOKYRAZNE-BDYUSTAISA-N 1 0 507.675 5.202 50 0 KKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341058 554220633 /nfs/dbraw/zinc/22/06/33/554220633.db2.gz QXVOUYIDCYOXQE-LJAQVGFWSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341400 554220966 /nfs/dbraw/zinc/22/09/66/554220966.db2.gz WYUPVESFBIBVBP-MUUNZHRXSA-N 1 0 502.058 5.981 50 0 KKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343847 554222395 /nfs/dbraw/zinc/22/23/95/554222395.db2.gz RXVJCOGSYHFOTE-PMERELPUSA-N 1 0 500.086 6.589 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344937 554223438 /nfs/dbraw/zinc/22/34/38/554223438.db2.gz GACXGWADESKLJV-PMERELPUSA-N 1 0 511.666 5.645 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100150944 554231473 /nfs/dbraw/zinc/23/14/73/554231473.db2.gz XISMLAMAWBDSCB-FPZUYOOISA-N 1 0 547.680 5.113 50 0 KKAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000037280018 554233314 /nfs/dbraw/zinc/23/33/14/554233314.db2.gz DVNTWGSIKCXTGY-UHFFFAOYSA-N 1 0 508.590 5.172 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C\c2ccc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000100190867 554244771 /nfs/dbraw/zinc/24/47/71/554244771.db2.gz TVHDODZRGVWAPS-GQPJMJRUSA-N 1 0 580.796 7.901 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000037523716 554250149 /nfs/dbraw/zinc/25/01/49/554250149.db2.gz QJCSLMJOOZUZDU-WNJJXGMVSA-N 1 0 526.618 7.167 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523714 554250159 /nfs/dbraw/zinc/25/01/59/554250159.db2.gz GSVGNCIRFXJYSG-UFHPHHKVSA-N 1 0 530.581 6.998 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524153 554250295 /nfs/dbraw/zinc/25/02/95/554250295.db2.gz SAVYTGWDLKJHKL-LMSSTIIKSA-N 1 0 508.628 7.028 50 0 KKAARO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)c1)NCC[NH+]1CCCCC1 ZINC000037600560 554253264 /nfs/dbraw/zinc/25/32/64/554253264.db2.gz WWMYKUUXNVROKI-UHFFFAOYSA-N 1 0 524.492 5.985 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000038139117 554259052 /nfs/dbraw/zinc/25/90/52/554259052.db2.gz RMHZIYVTPKMJJT-UHFFFAOYSA-N 1 0 554.713 5.245 50 0 KKAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc2c1 ZINC000038139158 554259428 /nfs/dbraw/zinc/25/94/28/554259428.db2.gz FYBPVKZVCGENMO-UHFFFAOYSA-N 1 0 564.733 5.045 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)CC3)s2)cc1 ZINC000038139229 554259586 /nfs/dbraw/zinc/25/95/86/554259586.db2.gz RHHIFTMQWFRSCV-DNQXCXABSA-N 1 0 579.815 5.325 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccccc2Cl)CC1 ZINC000038139260 554259955 /nfs/dbraw/zinc/25/99/55/554259955.db2.gz RFCBVMQVEGSLPW-NRFANRHFSA-N 1 0 556.151 5.635 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccn1 ZINC000052596076 554329774 /nfs/dbraw/zinc/32/97/74/554329774.db2.gz YWBGGCGBJHDFGB-RDGATRHJSA-N 1 0 513.692 5.566 50 0 KKAARO O=c1c2c3c(sc2nc(SCc2cccc4ccccc42)n1-c1ccccc1)C[N@H+](CCc1ccccc1)CC3 ZINC000053305774 554332844 /nfs/dbraw/zinc/33/28/44/554332844.db2.gz JNLUCVVVYCGYPI-UHFFFAOYSA-N 1 0 559.760 7.494 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000053371812 554348166 /nfs/dbraw/zinc/34/81/66/554348166.db2.gz TXKVTAKWTSZFNW-LDLOPFEMSA-N 1 0 564.151 6.052 50 0 KKAARO COc1ccc(Oc2ccc3c(c2)c2c(n3CC[NH+](Cc3ccccc3)Cc3ccccc3)C(=O)CCC2)cc1 ZINC000055212206 554350651 /nfs/dbraw/zinc/35/06/51/554350651.db2.gz IFHHHTNPVNHZEH-UHFFFAOYSA-N 1 0 530.668 7.664 50 0 KKAARO CCCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057238696 554353403 /nfs/dbraw/zinc/35/34/03/554353403.db2.gz HQEKQFIHZIZWSE-UHFFFAOYSA-N 1 0 515.654 5.617 50 0 KKAARO CCOC(C[N@H+](C)[C@@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818481 554478636 /nfs/dbraw/zinc/47/86/36/554478636.db2.gz OAMNGNQWYXUGQN-YTTGMZPUSA-N 1 0 599.768 7.477 50 0 KKAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000060209958 554503685 /nfs/dbraw/zinc/50/36/85/554503685.db2.gz BVDYFTXXWMONIJ-UHFFFAOYSA-N 1 0 566.749 5.509 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209689 554503799 /nfs/dbraw/zinc/50/37/99/554503799.db2.gz BIEQYUQNYNGXSU-UHFFFAOYSA-N 1 0 578.760 5.041 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cccc2F)s1 ZINC000060209977 554503862 /nfs/dbraw/zinc/50/38/62/554503862.db2.gz KYYOEBOLHOOUGX-UHFFFAOYSA-N 1 0 566.724 5.566 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210173 554503942 /nfs/dbraw/zinc/50/39/42/554503942.db2.gz PFRPPENWSLMHBJ-UHFFFAOYSA-N 1 0 558.770 5.247 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCC)[C@@H](C[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426877 554508599 /nfs/dbraw/zinc/50/85/99/554508599.db2.gz YIJMZLISLQQENO-DITALETJSA-N 1 0 516.726 6.468 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCC)[C@H](C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426875 554508622 /nfs/dbraw/zinc/50/86/22/554508622.db2.gz ZGIIRWXTCHNSIL-PPTMTGTBSA-N 1 0 504.690 6.598 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100961405 554542502 /nfs/dbraw/zinc/54/25/02/554542502.db2.gz GZGMAAUUJSUVNV-PVSBUFJZSA-N 1 0 537.685 6.454 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100984869 554548327 /nfs/dbraw/zinc/54/83/27/554548327.db2.gz ZOCDJIMMLAXSPZ-AYHHAJBCSA-N 1 0 542.104 7.098 50 0 KKAARO COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000101056256 554569468 /nfs/dbraw/zinc/56/94/68/554569468.db2.gz ASLIKJJMMURXMZ-JOCHJYFZSA-N 1 0 550.721 5.425 50 0 KKAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064446 554571726 /nfs/dbraw/zinc/57/17/26/554571726.db2.gz JLEJNNHBBFNPSP-XSHKJCDBSA-N 1 0 556.460 5.081 50 0 KKAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1ccc(Br)cc1 ZINC000101066229 554573115 /nfs/dbraw/zinc/57/31/15/554573115.db2.gz PJQDGTCMWMTPDF-UHFFFAOYSA-N 1 0 567.572 5.329 50 0 KKAARO CC[NH+](CC)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc2c(s1)c(Cl)ccc2C ZINC000101141153 554653468 /nfs/dbraw/zinc/65/34/68/554653468.db2.gz KOMPNIBIWULAAX-UHFFFAOYSA-N 1 0 583.607 5.687 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189617 554670218 /nfs/dbraw/zinc/67/02/18/554670218.db2.gz ZAACMHXAXWPKNY-NJKYLCJSSA-N 1 0 555.719 5.673 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189613 554670267 /nfs/dbraw/zinc/67/02/67/554670267.db2.gz ZAACMHXAXWPKNY-IVRHQOPMSA-N 1 0 555.719 5.673 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216233 554683183 /nfs/dbraw/zinc/68/31/83/554683183.db2.gz UYCKBFFCORJRQZ-NDEPHWFRSA-N 1 0 624.182 5.027 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226219 554688881 /nfs/dbraw/zinc/68/88/81/554688881.db2.gz RJNLJTQALKHTPY-MIZPTILZSA-N 1 0 557.710 5.799 50 0 KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226211 554688945 /nfs/dbraw/zinc/68/89/45/554688945.db2.gz RJNLJTQALKHTPY-IVRHQOPMSA-N 1 0 557.710 5.799 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000101226247 554688952 /nfs/dbraw/zinc/68/89/52/554688952.db2.gz WLBWGIAUMDCTMO-IOWSJCHKSA-N 1 0 545.699 5.944 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254660 554695226 /nfs/dbraw/zinc/69/52/26/554695226.db2.gz CJWLMUFTQKPYQP-SANMLTNESA-N 1 0 554.782 5.260 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254804 554695561 /nfs/dbraw/zinc/69/55/61/554695561.db2.gz KYXQGERIYQJGQQ-JGCGQSQUSA-N 1 0 613.828 5.323 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255107 554696189 /nfs/dbraw/zinc/69/61/89/554696189.db2.gz RFKSCLFLIDLEDD-PMERELPUSA-N 1 0 620.219 5.278 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255091 554696270 /nfs/dbraw/zinc/69/62/70/554696270.db2.gz NWEQTDHXYUAZCH-YTTGMZPUSA-N 1 0 629.827 5.023 50 0 KKAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000101260296 554697271 /nfs/dbraw/zinc/69/72/71/554697271.db2.gz RMZDPVZMBJRRKO-ZEQRLZLVSA-N 1 0 544.589 6.092 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000101346009 554737441 /nfs/dbraw/zinc/73/74/41/554737441.db2.gz XBLKGSFJFZFTKG-BHBYDHKZSA-N 1 0 547.788 5.112 50 0 KKAARO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2N(C)C1=O ZINC000101373875 554745493 /nfs/dbraw/zinc/74/54/93/554745493.db2.gz REUPKBWPTUKOGH-ANYBSYGZSA-N 1 0 544.696 5.186 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386165 554751171 /nfs/dbraw/zinc/75/11/71/554751171.db2.gz GJSVJJZDFSNHED-NHZFLZHXSA-N 1 0 605.827 7.058 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386223 554751403 /nfs/dbraw/zinc/75/14/03/554751403.db2.gz XAPJFJSMPHQWMJ-WNOXWKSXSA-N 1 0 647.864 6.575 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386183 554751411 /nfs/dbraw/zinc/75/14/11/554751411.db2.gz LDWYSZQCVJPLQB-RYCFQHDISA-N 1 0 593.772 6.142 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101416042 554764921 /nfs/dbraw/zinc/76/49/21/554764921.db2.gz GDUJLZRHPXBZIT-UHFFFAOYSA-N 1 0 625.766 5.894 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000101416725 554765839 /nfs/dbraw/zinc/76/58/39/554765839.db2.gz HRLZBIRAMYKGPQ-KDXMTYKHSA-N 1 0 547.696 5.537 50 0 KKAARO COc1ccc(OC)c(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000101421866 554767347 /nfs/dbraw/zinc/76/73/47/554767347.db2.gz FDPHPIOEKSUATJ-AREMUKBSSA-N 1 0 583.758 5.174 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492982 554786250 /nfs/dbraw/zinc/78/62/50/554786250.db2.gz UIYNMPKNVMFBPZ-RHHPEKOXSA-N 1 0 594.778 5.536 50 0 KKAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000101500370 554787992 /nfs/dbraw/zinc/78/79/92/554787992.db2.gz HKBNORXDVMHJAO-NTCAYCPXSA-N 1 0 562.736 5.487 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3)C2=O)c1 ZINC000101506284 554789951 /nfs/dbraw/zinc/78/99/51/554789951.db2.gz YLEIHGXTUUBSRA-ZXSNDDASSA-N 1 0 583.842 7.717 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3)C2=O)c1 ZINC000101506330 554790193 /nfs/dbraw/zinc/79/01/93/554790193.db2.gz WLSJTJYQDWMSQE-SJIPCVTESA-N 1 0 553.772 6.979 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3)C2=O)c1 ZINC000101506531 554790530 /nfs/dbraw/zinc/79/05/30/554790530.db2.gz YFYLGILMEGEBGC-UCMJSZAQSA-N 1 0 569.815 7.327 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101507049 554791017 /nfs/dbraw/zinc/79/10/17/554791017.db2.gz HXCIJUUYCMFXHF-PQDGVMIBSA-N 1 0 567.799 7.368 50 0 KKAARO CCCCN(CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)c1ccccc1 ZINC000101629784 554811501 /nfs/dbraw/zinc/81/15/01/554811501.db2.gz UXZRXHCJAKNMJJ-HFTWOUSFSA-N 1 0 567.677 6.998 50 0 KKAARO CCOC(=O)c1ccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000101634264 554812468 /nfs/dbraw/zinc/81/24/68/554812468.db2.gz KVWHHUBZHFBJEF-UHFFFAOYSA-N 1 0 581.226 7.220 50 0 KKAARO CC(C)c1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000101634566 554812595 /nfs/dbraw/zinc/81/25/95/554812595.db2.gz SECZZPZGPMYHSW-UHFFFAOYSA-N 1 0 542.127 6.697 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101637052 554813371 /nfs/dbraw/zinc/81/33/71/554813371.db2.gz GFNLKZBVYRBIGX-CUFSWWAQSA-N 1 0 553.772 6.773 50 0 KKAARO CCOc1ccc(/C=C2/Sc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101637149 554813395 /nfs/dbraw/zinc/81/33/95/554813395.db2.gz OQOWAKKLXZDSKM-NDZAJKAJSA-N 1 0 557.716 5.598 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101637578 554813659 /nfs/dbraw/zinc/81/36/59/554813659.db2.gz KLSCIOJXXPJXGC-SJARJILFSA-N 1 0 626.222 6.742 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000101739792 554833991 /nfs/dbraw/zinc/83/39/91/554833991.db2.gz PTJZEVOWAKTJHY-UHFFFAOYSA-N 1 0 561.702 5.520 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000101739825 554833997 /nfs/dbraw/zinc/83/39/97/554833997.db2.gz JJYZREONHIOSAX-UHFFFAOYSA-N 1 0 543.712 5.381 50 0 KKAARO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000101754434 554835795 /nfs/dbraw/zinc/83/57/95/554835795.db2.gz OAQCKUAWXZJOAU-DGMOKBNLSA-N 1 0 580.242 5.451 50 0 KKAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCCc1ccccn1 ZINC000101761804 554836798 /nfs/dbraw/zinc/83/67/98/554836798.db2.gz SHWZECYJFUEYTJ-FREGXXQWSA-N 1 0 564.149 5.026 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC000101843184 554842984 /nfs/dbraw/zinc/84/29/84/554842984.db2.gz WQHUCHLZOUDQRA-URLMMPGGSA-N 1 0 548.728 5.152 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000101866694 554845074 /nfs/dbraw/zinc/84/50/74/554845074.db2.gz DFFQESXOOPQGAQ-UHFFFAOYSA-N 1 0 577.717 5.578 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000101868611 554845399 /nfs/dbraw/zinc/84/53/99/554845399.db2.gz UVFTVQFAIKVVNK-AJQTZOPKSA-N 1 0 552.763 5.073 50 0 KKAARO COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)c2)cc(OC)c1OC ZINC000101976004 554862831 /nfs/dbraw/zinc/86/28/31/554862831.db2.gz RUWXTUSZLBGBIT-VWLOTQADSA-N 1 0 537.638 5.189 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979640 554863564 /nfs/dbraw/zinc/86/35/64/554863564.db2.gz YUGIDUUOXHLBSO-XZWHSSHBSA-N 1 0 542.749 5.748 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979732 554863572 /nfs/dbraw/zinc/86/35/72/554863572.db2.gz DMQULUAMPQQQQA-IHLOFXLRSA-N 1 0 542.749 5.300 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000101979748 554863647 /nfs/dbraw/zinc/86/36/47/554863647.db2.gz ZNOOPHULBMEETJ-IOWSJCHKSA-N 1 0 572.775 5.309 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979726 554863692 /nfs/dbraw/zinc/86/36/92/554863692.db2.gz DMQULUAMPQQQQA-XZWHSSHBSA-N 1 0 542.749 5.300 50 0 KKAARO CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000102003133 554866400 /nfs/dbraw/zinc/86/64/00/554866400.db2.gz GMLZRSGKUISWLP-WJOKGBTCSA-N 1 0 547.671 5.344 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084841 554876255 /nfs/dbraw/zinc/87/62/55/554876255.db2.gz VNLWYPCISHMONB-MUUNZHRXSA-N 1 0 574.102 7.007 50 0 KKAARO COc1ccc(CN2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)c2ccccc12 ZINC000102090178 554877463 /nfs/dbraw/zinc/87/74/63/554877463.db2.gz KXTIGSHWDBDPJJ-UCGGBYDDSA-N 1 0 587.749 6.855 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096300 554879418 /nfs/dbraw/zinc/87/94/18/554879418.db2.gz LRLFKNQGLFKLBZ-LITSAYRRSA-N 1 0 576.625 8.047 50 0 KKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000102097064 554879760 /nfs/dbraw/zinc/87/97/60/554879760.db2.gz PAOFDPRIIUQEQT-OZXSUGGESA-N 1 0 532.647 7.228 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000102102996 554882092 /nfs/dbraw/zinc/88/20/92/554882092.db2.gz LGSRWZQPSDLOHH-YTTGMZPUSA-N 1 0 553.791 6.598 50 0 KKAARO CC(C)C[NH+](CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)CC(C)C ZINC000102103762 554882357 /nfs/dbraw/zinc/88/23/57/554882357.db2.gz LOJGWBCWZDQNOF-DXJNIWACSA-N 1 0 560.138 6.651 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000102104406 554882399 /nfs/dbraw/zinc/88/23/99/554882399.db2.gz HMFQKLPQKMUUQF-HHHXNRCGSA-N 1 0 535.635 6.287 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136035 554887771 /nfs/dbraw/zinc/88/77/71/554887771.db2.gz PFYCXLBTXSSNCF-FIPFOOKPSA-N 1 0 541.589 5.531 50 0 KKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102231259 554900296 /nfs/dbraw/zinc/90/02/96/554900296.db2.gz HOJOIDZRPNIDCC-WJOKGBTCSA-N 1 0 561.553 6.868 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C(F)(F)F ZINC000102307446 554909465 /nfs/dbraw/zinc/90/94/65/554909465.db2.gz CJAPOWKIAVPTLR-UHFFFAOYSA-N 1 0 532.566 5.416 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102410573 554923310 /nfs/dbraw/zinc/92/33/10/554923310.db2.gz QQQYMCIVVYBTSP-LITSAYRRSA-N 1 0 528.693 5.069 50 0 KKAARO C[C@@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(Oc3ccccc3)c2)n1)c1ccccc1 ZINC000102418992 554925033 /nfs/dbraw/zinc/92/50/33/554925033.db2.gz QMDLAOJTDPYMTO-AREMUKBSSA-N 1 0 570.693 7.684 50 0 KKAARO C[C@@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000102418968 554925067 /nfs/dbraw/zinc/92/50/67/554925067.db2.gz AZOWWNOQTATCKY-OAQYLSRUSA-N 1 0 546.593 6.911 50 0 KKAARO C[C@H](NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000102418941 554925093 /nfs/dbraw/zinc/92/50/93/554925093.db2.gz JBEXHAZKPQWIPY-NRFANRHFSA-N 1 0 546.593 6.911 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000102438259 554928930 /nfs/dbraw/zinc/92/89/30/554928930.db2.gz OTRRAUITISAPCQ-URLMMPGGSA-N 1 0 533.672 5.427 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462083 554935258 /nfs/dbraw/zinc/93/52/58/554935258.db2.gz OBRQVTMDICJKFZ-CGVHCUEWSA-N 1 0 574.533 7.506 50 0 KKAARO COc1cccc(CNC(=O)CC[C@H]2C[N@H+](CC(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC ZINC000102508321 554945504 /nfs/dbraw/zinc/94/55/04/554945504.db2.gz UHGGRAQDLIQGRB-LBNVMWSVSA-N 1 0 590.731 5.288 50 0 KKAARO CCOC(=O)c1c2ccc(Br)c(OCC[NH+](Cc3ccccc3)Cc3ccccc3)c2sc1NC(C)=O ZINC000102524949 554951668 /nfs/dbraw/zinc/95/16/68/554951668.db2.gz QPHUORCVUYGHTL-UHFFFAOYSA-N 1 0 581.532 6.880 50 0 KKAARO COc1ccc(CCN(Cc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)Cc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000102634051 554990202 /nfs/dbraw/zinc/99/02/02/554990202.db2.gz MYKJIZPUPIRNNL-MHZLTWQESA-N 1 0 621.803 7.475 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102668452 555002216 /nfs/dbraw/zinc/00/22/16/555002216.db2.gz CKDUDHCDIRJFPB-FJXFDBCWSA-N 1 0 543.708 6.358 50 0 KKAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102673868 555003585 /nfs/dbraw/zinc/00/35/85/555003585.db2.gz LMNHSJQJTVBJIC-RQGZQSEYSA-N 1 0 513.597 5.163 50 0 KKAARO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)CN3C3CC[NH+](Cc4ccccc4)CC3)ccc2s1 ZINC000102706270 555014807 /nfs/dbraw/zinc/01/48/07/555014807.db2.gz LDJJPSBDLFZFEJ-VPUSJEBWSA-N 1 0 543.762 5.838 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102720016 555019870 /nfs/dbraw/zinc/01/98/70/555019870.db2.gz URFNQMGOQKRVMA-KJTGFEPFSA-N 1 0 557.735 6.604 50 0 KKAARO COc1ccc(-c2csc(C3=C(N)N(CCC4CC[NH+](Cc5ccccc5)CC4)CC3=O)n2)cc1OC ZINC000102725891 555021503 /nfs/dbraw/zinc/02/15/03/555021503.db2.gz GJNRUAYYNPBREW-UHFFFAOYSA-N 1 0 518.683 5.692 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000102766274 555055245 /nfs/dbraw/zinc/05/52/45/555055245.db2.gz MOZCCZBAPQAWNM-ANYBSYGZSA-N 1 0 546.136 5.891 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770734 555058073 /nfs/dbraw/zinc/05/80/73/555058073.db2.gz QSYYISVUDFTIBU-QYVLQNAGSA-N 1 0 620.193 7.381 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770897 555058659 /nfs/dbraw/zinc/05/86/59/555058659.db2.gz YIGWGOIKVPCXAU-BCJTWVECSA-N 1 0 625.144 6.388 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 ZINC000102779453 555065178 /nfs/dbraw/zinc/06/51/78/555065178.db2.gz XNRQJTFHMVNFKH-DFKUXCBWSA-N 1 0 574.190 7.404 50 0 KKAARO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)N1CC[NH+](C2CCCCC2)CC1 ZINC000102780512 555065851 /nfs/dbraw/zinc/06/58/51/555065851.db2.gz NCKOWGODLGRMDE-YQYKVWLJSA-N 1 0 555.719 6.596 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790150 555068797 /nfs/dbraw/zinc/06/87/97/555068797.db2.gz TXWJXCBOIFMYKX-DEOSSOPVSA-N 1 0 563.768 5.102 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790102 555068818 /nfs/dbraw/zinc/06/88/18/555068818.db2.gz HKKROTLPSUHRJI-VWLOTQADSA-N 1 0 563.768 5.102 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791999 555069227 /nfs/dbraw/zinc/06/92/27/555069227.db2.gz AFKBYNLPCUGDNZ-JDCMOKTRSA-N 1 0 553.772 7.059 50 0 KKAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000102794472 555071256 /nfs/dbraw/zinc/07/12/56/555071256.db2.gz DLEFYVSGRCYCHD-NHCUHLMSSA-N 1 0 542.771 5.140 50 0 KKAARO COc1ccc(-c2cccc(-c3nc(C[N@@H+]4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC ZINC000102830533 555078524 /nfs/dbraw/zinc/07/85/24/555078524.db2.gz UKRVWVTXEJBPTJ-SANMLTNESA-N 1 0 584.826 8.645 50 0 KKAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102832023 555079112 /nfs/dbraw/zinc/07/91/12/555079112.db2.gz OUDDZDZTFPGBPL-UHFFFAOYSA-N 1 0 597.604 5.649 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840419 555081312 /nfs/dbraw/zinc/08/13/12/555081312.db2.gz CXPDIMBNZQKTGR-WINIVTDRSA-N 1 0 542.532 5.766 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850429 555085475 /nfs/dbraw/zinc/08/54/75/555085475.db2.gz ZERHFJYIGHLKRB-FQEVSTJZSA-N 1 0 556.524 5.665 50 0 KKAARO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102941015 555169835 /nfs/dbraw/zinc/16/98/35/555169835.db2.gz WXOVBUYZTPQMNZ-MUUNZHRXSA-N 1 0 532.710 5.196 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103008241 555205003 /nfs/dbraw/zinc/20/50/03/555205003.db2.gz XISMLAMAWBDSCB-KRKRULMMSA-N 1 0 547.680 5.113 50 0 KKAARO O=C(Nc1ccc(F)c(F)c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024119 555214601 /nfs/dbraw/zinc/21/46/01/555214601.db2.gz KXHICQHCELUQBE-UHFFFAOYSA-N 1 0 547.650 5.994 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103024433 555214802 /nfs/dbraw/zinc/21/48/02/555214802.db2.gz WXKKVYVQLGWWBR-UHFFFAOYSA-N 1 0 552.561 5.774 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(Cl)c(Cl)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025315 555215508 /nfs/dbraw/zinc/21/55/08/555215508.db2.gz REPCSZPLZVWLMO-UHFFFAOYSA-N 1 0 530.475 5.573 50 0 KKAARO Cc1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000103050994 555233215 /nfs/dbraw/zinc/23/32/15/555233215.db2.gz VBRGTGDQCZCJFQ-UHFFFAOYSA-N 1 0 532.044 5.330 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000103061145 555242380 /nfs/dbraw/zinc/24/23/80/555242380.db2.gz DWAXCDXZFAGKQZ-AHKZPQOWSA-N 1 0 545.655 5.787 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000103064953 555245436 /nfs/dbraw/zinc/24/54/36/555245436.db2.gz VKEFOSCWQNXSIT-JGCGQSQUSA-N 1 0 583.817 6.887 50 0 KKAARO CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1Cl ZINC000103086395 555265144 /nfs/dbraw/zinc/26/51/44/555265144.db2.gz LNDYBQHCXGHXBB-UHFFFAOYSA-N 1 0 577.383 8.263 50 0 KKAARO COc1ccc(CCN(Cc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)Cc2ccc(F)cc2)cc1OC ZINC000103122450 555291122 /nfs/dbraw/zinc/29/11/22/555291122.db2.gz PSOFVEBMXRZMGM-UHFFFAOYSA-N 1 0 587.761 6.639 50 0 KKAARO CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000103132677 555302346 /nfs/dbraw/zinc/30/23/46/555302346.db2.gz OSMXLQWYTCLXBB-UHFFFAOYSA-N 1 0 549.735 6.080 50 0 KKAARO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000103159384 555320339 /nfs/dbraw/zinc/32/03/39/555320339.db2.gz AUXVSVOKUCWCRJ-HHHXNRCGSA-N 1 0 517.699 5.092 50 0 KKAARO Cc1cccc([C@H]2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000103159858 555320541 /nfs/dbraw/zinc/32/05/41/555320541.db2.gz SQRFXBBXRXSSEP-YTTGMZPUSA-N 1 0 555.719 5.657 50 0 KKAARO CC(C)c1ccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000103190695 555333397 /nfs/dbraw/zinc/33/33/97/555333397.db2.gz SRPGSDZBEGJANM-UHFFFAOYSA-N 1 0 553.751 6.839 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(OCC)cc1 ZINC000103196547 555334898 /nfs/dbraw/zinc/33/48/98/555334898.db2.gz HANDKOHKRVBWQY-UHFFFAOYSA-N 1 0 550.723 5.947 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc(Br)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000103201561 555337545 /nfs/dbraw/zinc/33/75/45/555337545.db2.gz CNVMRGCLIBRVOU-UHFFFAOYSA-N 1 0 588.616 5.322 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219961 555340834 /nfs/dbraw/zinc/34/08/34/555340834.db2.gz OIYUTYASRCXJPF-NEEKEDPPSA-N 1 0 552.656 7.844 50 0 KKAARO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)CC2)c1 ZINC000103266864 555347252 /nfs/dbraw/zinc/34/72/52/555347252.db2.gz PNICPVLOJIBVBH-UHFFFAOYSA-N 1 0 552.641 5.759 50 0 KKAARO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000103324153 555358981 /nfs/dbraw/zinc/35/89/81/555358981.db2.gz LQZNVGXSPGQKRA-WJOKGBTCSA-N 1 0 582.726 5.865 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103368765 555366153 /nfs/dbraw/zinc/36/61/53/555366153.db2.gz RPKZXPKVDHBFEF-UHFFFAOYSA-N 1 0 563.690 5.188 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000103371483 555367072 /nfs/dbraw/zinc/36/70/72/555367072.db2.gz NGASOUXKYSJPEM-WJOKGBTCSA-N 1 0 588.177 5.657 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103386947 555374346 /nfs/dbraw/zinc/37/43/46/555374346.db2.gz STSPBKQRPXHSAT-MHZLTWQESA-N 1 0 533.619 6.041 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435239 555417679 /nfs/dbraw/zinc/41/76/79/555417679.db2.gz FIKKHZGZLLGDJB-YIXXDRMTSA-N 1 0 533.009 7.264 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000103552975 555444762 /nfs/dbraw/zinc/44/47/62/555444762.db2.gz YZRKFWBJWMWSRQ-AVFCFFAPSA-N 1 0 570.822 6.146 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578614 555451159 /nfs/dbraw/zinc/45/11/59/555451159.db2.gz OCSSPPVRIBPKRC-GJPZQIGFSA-N 1 0 542.120 5.871 50 0 KKAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727467 555465553 /nfs/dbraw/zinc/46/55/53/555465553.db2.gz WDOSKLSDJSTYEX-WDYNHAJCSA-N 1 0 513.707 5.536 50 0 KKAARO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 ZINC000145048061 562836881 /nfs/dbraw/zinc/83/68/81/562836881.db2.gz DADASRPKWOGKCU-FVTQAUBDSA-N 1 0 534.660 5.729 50 0 in-vitro KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000195260649 562871608 /nfs/dbraw/zinc/87/16/08/562871608.db2.gz MYKURCFTIZBVPS-MBHZRMRWSA-N 1 0 574.718 6.089 50 0 KKAARO O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000020502342 571360603 /nfs/dbraw/zinc/36/06/03/571360603.db2.gz HPLJTCMASROIFM-FJUJMQFGSA-N 1 0 502.595 5.730 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103899902 571368952 /nfs/dbraw/zinc/36/89/52/571368952.db2.gz ZRXMRYXHPCGGLA-LMSSTIIKSA-N 1 0 529.482 5.414 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000104147788 571375196 /nfs/dbraw/zinc/37/51/96/571375196.db2.gz SEXXIVHIGBPBEK-GUARRIROSA-N 1 0 551.131 5.202 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000104147860 571375292 /nfs/dbraw/zinc/37/52/92/571375292.db2.gz URMPANRMSSDWFV-GUARRIROSA-N 1 0 595.582 5.311 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104919816 571387839 /nfs/dbraw/zinc/38/78/39/571387839.db2.gz FQTVRXMMHLCPII-AHKZPQOWSA-N 1 0 511.563 5.067 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105019185 571389392 /nfs/dbraw/zinc/38/93/92/571389392.db2.gz JOXAZIBYPQVCCB-SQHAQQRYSA-N 1 0 510.600 6.127 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022711 571389450 /nfs/dbraw/zinc/38/94/50/571389450.db2.gz SJICJDFQSJIVDR-QNLPTKCRSA-N 1 0 508.637 6.366 50 0 KKAARO Cc1ccsc1C[N@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105041837 571390178 /nfs/dbraw/zinc/39/01/78/571390178.db2.gz PAOFDPRIIUQEQT-JYFHCDHNSA-N 1 0 532.647 7.228 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)ccc1O ZINC000105041318 571390240 /nfs/dbraw/zinc/39/02/40/571390240.db2.gz SCGLQMVMNRDULQ-FREGXXQWSA-N 1 0 530.684 6.539 50 0 KKAARO COc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000105042581 571390331 /nfs/dbraw/zinc/39/03/31/571390331.db2.gz DVJQUUTVKFKJNJ-CUBQBAPOSA-N 1 0 528.590 6.620 50 0 KKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105060828 571390762 /nfs/dbraw/zinc/39/07/62/571390762.db2.gz HNWYPQMPLZHZNV-GJBXTBEHSA-N 1 0 590.809 7.236 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000105061503 571390975 /nfs/dbraw/zinc/39/09/75/571390975.db2.gz SGHUENSJVVOIES-DNOBIOAJSA-N 1 0 575.537 6.296 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000105061836 571391048 /nfs/dbraw/zinc/39/10/48/571391048.db2.gz RGYKOMQVFFEZHE-HRFSGMKKSA-N 1 0 556.559 6.074 50 0 KKAARO CC[C@@H](C)OC(=O)Nc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105886689 571409152 /nfs/dbraw/zinc/40/91/52/571409152.db2.gz RZJZGAADPCCXEV-OAQYLSRUSA-N 1 0 608.623 8.219 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000108473052 571425839 /nfs/dbraw/zinc/42/58/39/571425839.db2.gz XVZJUSYOQZVBQP-NYSQKFROSA-N 1 0 620.882 7.184 50 0 KKAARO CCOP(=O)(OCC)c1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000135737578 571448894 /nfs/dbraw/zinc/44/88/94/571448894.db2.gz SUBZAWOVJPFKEQ-UHFFFAOYSA-N 1 0 629.578 7.764 50 0 KKAARO CCCOc1ccc(C[NH+]2CCC([C@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3N(C)C)CC2)cc1 ZINC000136976399 571449945 /nfs/dbraw/zinc/44/99/45/571449945.db2.gz PJJKXSDGYHFCJG-WJOKGBTCSA-N 1 0 572.668 6.597 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C1/CCCC(/C=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)=C1Cl ZINC000150338957 571457196 /nfs/dbraw/zinc/45/71/96/571457196.db2.gz JVIZAYHLAAIFHH-UHFFFAOYSA-N 1 0 644.373 9.760 50 0 KKAARO CCCCN1c2ccc3ccccc3c2C(C)(C)/C1=C/C=C1\CCCC(/C=C/C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)=C1Cl ZINC000150339411 571457443 /nfs/dbraw/zinc/45/74/43/571457443.db2.gz PLKBYLYTNNLEGU-UHFFFAOYSA-N 1 0 668.389 12.811 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CCC)CCC)cc1 ZINC000150388807 571471045 /nfs/dbraw/zinc/47/10/45/571471045.db2.gz NHJYGHSPPHLRCK-UHFFFAOYSA-N 1 0 681.792 10.330 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150388989 571471311 /nfs/dbraw/zinc/47/13/11/571471311.db2.gz XEWDYSZTJJQTQF-UHFFFAOYSA-N 1 0 665.793 10.160 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000150389027 571471445 /nfs/dbraw/zinc/47/14/45/571471445.db2.gz QKAOVUYNSWKCDZ-UHFFFAOYSA-N 1 0 669.737 8.880 50 0 KKAARO Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389163 571471552 /nfs/dbraw/zinc/47/15/52/571471552.db2.gz XKGQKXJRZQJRNL-DTQAZKPQSA-N 1 0 649.750 9.571 50 0 KKAARO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389123 571471574 /nfs/dbraw/zinc/47/15/74/571471574.db2.gz DTVDPTJSWAROJU-UHFFFAOYSA-N 1 0 706.154 8.925 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150418520 571486713 /nfs/dbraw/zinc/48/67/13/571486713.db2.gz QFCNUNRGCJXESN-YTTGMZPUSA-N 1 0 645.895 5.736 50 0 KKAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CC[NH+](C[C@@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479494 571511771 /nfs/dbraw/zinc/51/17/71/571511771.db2.gz JGRPNZJSUKYMOG-KKLWWLSJSA-N 1 0 644.816 5.987 50 0 KKAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000150522469 571520160 /nfs/dbraw/zinc/52/01/60/571520160.db2.gz TZBJSKJBOIGZBE-YYFXGUOYSA-N 1 0 643.788 5.473 50 0 KKAARO O=C(OCc1ccccc1)c1ccccc1C(=O)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000150577685 571521740 /nfs/dbraw/zinc/52/17/40/571521740.db2.gz YVHXJDPLRFCTIJ-UHFFFAOYSA-N 1 0 656.782 8.868 50 0 KKAARO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3ccccc3C)C2=O)C2C(=O)NC(=S)[C@H](c3ccccc3C)C2=O)cc1CN1CCCCC1 ZINC000150623613 571523500 /nfs/dbraw/zinc/52/35/00/571523500.db2.gz LNWDOZXUBGBRET-LOYHVIPDSA-N 1 0 681.880 7.310 50 0 KKAARO CC(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)cc2-c2ccccc2)cc1 ZINC000159147795 571529928 /nfs/dbraw/zinc/52/99/28/571529928.db2.gz ZUIWNYNNUUQBQV-YACUFSJGSA-N 1 0 646.814 10.523 50 0 KKAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680358 571556719 /nfs/dbraw/zinc/55/67/19/571556719.db2.gz XTIWKHOZTQKLTP-IXCJQBJRSA-N 1 0 536.738 5.159 50 0 KKAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681577 571557462 /nfs/dbraw/zinc/55/74/62/571557462.db2.gz UAXRSEWQUQEUOH-RBJSKKJNSA-N 1 0 529.681 6.160 50 0 KKAARO O=C1c2ccccc2[C@H]([C@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000195529727 571563466 /nfs/dbraw/zinc/56/34/66/571563466.db2.gz DQPCOOIKAATCSW-NUZLPUNMSA-N 1 0 562.025 6.297 50 0 KKAARO C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncn2)cc1 ZINC000209735140 571575268 /nfs/dbraw/zinc/57/52/68/571575268.db2.gz SFLKJNSBBVSPFE-UHFFFAOYSA-N 1 0 691.620 6.659 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299756060 572134687 /nfs/dbraw/zinc/13/46/87/572134687.db2.gz CDNXMMWDFCLTGZ-BHDXBOSCSA-N 1 0 587.208 6.269 50 0 KKAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077057 572182949 /nfs/dbraw/zinc/18/29/49/572182949.db2.gz ALWRIKVPWYIDRQ-SVBPBHIXSA-N 1 0 507.700 5.696 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077052 572182983 /nfs/dbraw/zinc/18/29/83/572182983.db2.gz FJAIBEYEPBUOIH-FAQZDJIUSA-N 1 0 521.727 6.085 50 0 KKAARO COc1cccc([C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000239433435 572195979 /nfs/dbraw/zinc/19/59/79/572195979.db2.gz XRSLSNHSYZGALL-ONALNCHISA-N 1 0 500.639 5.362 50 0 KKAARO CC(C)[NH+]1CCN(CCN(C)c2ccc([C@H]3CC[C@H](N(C)C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000241707117 572196904 /nfs/dbraw/zinc/19/69/04/572196904.db2.gz QMTAXHPFLIXOPD-UAHYGDRYSA-N 1 0 511.154 5.601 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000245234913 572209835 /nfs/dbraw/zinc/20/98/35/572209835.db2.gz GGWTWTKBWQQGBO-GOQOSDJISA-N 1 0 533.713 5.092 50 0 KKAARO O=C1[C@@H]2[C@H](Cc3ccccc3)[NH2+][C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245238438 572211897 /nfs/dbraw/zinc/21/18/97/572211897.db2.gz OUNJCHWZWVJYTM-DBPUXHPHSA-N 1 0 548.042 5.102 50 0 KKAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281244 572224791 /nfs/dbraw/zinc/22/47/91/572224791.db2.gz WPDHQPMIUOUXAW-AZGAKELHSA-N 1 0 511.638 5.033 50 0 KKAARO Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289978 572226226 /nfs/dbraw/zinc/22/62/26/572226226.db2.gz GLOXOEOMNNNGES-NEKDWFFYSA-N 1 0 501.696 5.076 50 0 KKAARO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459528 572242192 /nfs/dbraw/zinc/24/21/92/572242192.db2.gz AIWYYYCARYHFNE-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480475 572242599 /nfs/dbraw/zinc/24/25/99/572242599.db2.gz ITFCHYHPQDLCQM-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724475 572243697 /nfs/dbraw/zinc/24/36/97/572243697.db2.gz CLLWSCYJXFXQIC-JOCHJYFZSA-N 1 0 539.477 6.792 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725604 572243823 /nfs/dbraw/zinc/24/38/23/572243823.db2.gz DFAIJVICVRTTAU-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737805 572243961 /nfs/dbraw/zinc/24/39/61/572243961.db2.gz LVJJGECIKPXQRE-SFHVURJKSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734159 572244088 /nfs/dbraw/zinc/24/40/88/572244088.db2.gz JRWHFSAXCAYLPH-SFHVURJKSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740681 572244173 /nfs/dbraw/zinc/24/41/73/572244173.db2.gz NLCULVGISUPKDD-QGZVFWFLSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736032 572244245 /nfs/dbraw/zinc/24/42/45/572244245.db2.gz KWZDVWCEMZJFDE-RUZDIDTESA-N 1 0 595.541 7.218 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247741025 572244252 /nfs/dbraw/zinc/24/42/52/572244252.db2.gz NYOSVKCAOFCZRC-SFHVURJKSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744040 572244444 /nfs/dbraw/zinc/24/44/44/572244444.db2.gz PNGLQQSVNUALDV-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754550 572244632 /nfs/dbraw/zinc/24/46/32/572244632.db2.gz WFLCYMVAZHQCRY-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794132 572245098 /nfs/dbraw/zinc/24/50/98/572245098.db2.gz BPOVVMXACUNIOC-HSZRJFAPSA-N 1 0 604.524 5.124 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807911 572245364 /nfs/dbraw/zinc/24/53/64/572245364.db2.gz CISIYSQRBAOILC-AREMUKBSSA-N 1 0 547.187 7.444 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860886 572246603 /nfs/dbraw/zinc/24/66/03/572246603.db2.gz GDKDCEAUVKOTPW-RUZDIDTESA-N 1 0 525.672 5.342 50 0 KKAARO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859889 572246626 /nfs/dbraw/zinc/24/66/26/572246626.db2.gz FLEKPJOCEPAEQM-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870093 572247085 /nfs/dbraw/zinc/24/70/85/572247085.db2.gz QIBNJGTUTNXQHB-DEOSSOPVSA-N 1 0 596.097 6.318 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871053 572247159 /nfs/dbraw/zinc/24/71/59/572247159.db2.gz QUAFEYCFHWNILI-QFIPXVFZSA-N 1 0 565.615 5.744 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869313 572247260 /nfs/dbraw/zinc/24/72/60/572247260.db2.gz QCZVVRHAUQNQQT-SSEXGKCCSA-N 1 0 587.743 6.310 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874535 572247396 /nfs/dbraw/zinc/24/73/96/572247396.db2.gz GMSWFSPBGHZSCQ-VWLOTQADSA-N 1 0 558.126 5.307 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877045 572247960 /nfs/dbraw/zinc/24/79/60/572247960.db2.gz UKNDYFJDGAXMEF-JOCHJYFZSA-N 1 0 532.063 5.379 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882236 572248058 /nfs/dbraw/zinc/24/80/58/572248058.db2.gz JHTFZAGYGKWYPI-DEOSSOPVSA-N 1 0 576.116 5.447 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878478 572248079 /nfs/dbraw/zinc/24/80/79/572248079.db2.gz IBVMIDJIPGWYKT-DEOSSOPVSA-N 1 0 517.073 5.318 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000247895495 572248734 /nfs/dbraw/zinc/24/87/34/572248734.db2.gz XFXKCKRXMMGOGZ-VWLOTQADSA-N 1 0 525.672 5.342 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893376 572248780 /nfs/dbraw/zinc/24/87/80/572248780.db2.gz NKLBMGNVHHFVTA-DEOSSOPVSA-N 1 0 592.571 5.961 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5c(C)cccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247915270 572249230 /nfs/dbraw/zinc/24/92/30/572249230.db2.gz VYPKDGLTJNNFAF-NDEPHWFRSA-N 1 0 551.735 5.271 50 0 KKAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000247921507 572249550 /nfs/dbraw/zinc/24/95/50/572249550.db2.gz XUDAYJMTMXPOLY-HSZRJFAPSA-N 1 0 503.046 5.275 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247921601 572249680 /nfs/dbraw/zinc/24/96/80/572249680.db2.gz XWVQYWPILDAPAJ-HSZRJFAPSA-N 1 0 503.046 5.275 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939341 572249816 /nfs/dbraw/zinc/24/98/16/572249816.db2.gz OXOWYCXGJMAYHO-QFIPXVFZSA-N 1 0 655.424 6.291 50 0 KKAARO COc1ccc([C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247940475 572249902 /nfs/dbraw/zinc/24/99/02/572249902.db2.gz NEKMJQLHAZFCCA-QCDSWUKFSA-N 1 0 506.618 5.116 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247961122 572250905 /nfs/dbraw/zinc/25/09/05/572250905.db2.gz XQWFUADVZLRHBE-JOCHJYFZSA-N 1 0 620.979 5.638 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248078168 572253239 /nfs/dbraw/zinc/25/32/39/572253239.db2.gz BVVSMJLUCDJMKA-UHFFFAOYSA-N 1 0 572.551 5.657 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104960 572253667 /nfs/dbraw/zinc/25/36/67/572253667.db2.gz QLBLTERBNPVWOT-MQRABVPWSA-N 1 0 529.750 5.647 50 0 KKAARO CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248112817 572253704 /nfs/dbraw/zinc/25/37/04/572253704.db2.gz TWMAHXODAVPQFG-RNWIMVQKSA-N 1 0 515.723 5.330 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108431 572253715 /nfs/dbraw/zinc/25/37/15/572253715.db2.gz MNFCGMDFUWCTHJ-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114879 572253956 /nfs/dbraw/zinc/25/39/56/572253956.db2.gz UMDXQFSJIDKGJV-BHBYDHKZSA-N 1 0 501.114 7.339 50 0 KKAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1C ZINC000248122171 572254219 /nfs/dbraw/zinc/25/42/19/572254219.db2.gz VNIMQRWFVKVZEZ-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122135 572254224 /nfs/dbraw/zinc/25/42/24/572254224.db2.gz VMDRETHVBJPCLJ-HSZRJFAPSA-N 1 0 531.498 5.667 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248142888 572255246 /nfs/dbraw/zinc/25/52/46/572255246.db2.gz QTOLMJJMCLDIKN-MXMCVKMKSA-N 1 0 586.644 5.694 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245133 572257001 /nfs/dbraw/zinc/25/70/01/572257001.db2.gz QDWKNZACXBCBPP-NAKRPHOHSA-N 1 0 562.598 7.738 50 0 KKAARO COc1cc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250203 572257088 /nfs/dbraw/zinc/25/70/88/572257088.db2.gz IPGGCZWBQGQORS-UBQPBEJKSA-N 1 0 566.654 5.426 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289868 572257748 /nfs/dbraw/zinc/25/77/48/572257748.db2.gz KDGHVVLSQKCCOI-IZEXYCQBSA-N 1 0 543.067 5.173 50 0 KKAARO C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000248327861 572258055 /nfs/dbraw/zinc/25/80/55/572258055.db2.gz AQGKXMYBXMXQKH-UDHHWMKWSA-N 1 0 533.753 5.751 50 0 KKAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692763 572258837 /nfs/dbraw/zinc/25/88/37/572258837.db2.gz MZKBTWWZHPSQAJ-NDEPHWFRSA-N 1 0 521.709 5.202 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000251999692 572259686 /nfs/dbraw/zinc/25/96/86/572259686.db2.gz LZQIFCGKZBBXAW-MHZLTWQESA-N 1 0 556.154 5.861 50 0 KKAARO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000251979310 572259711 /nfs/dbraw/zinc/25/97/11/572259711.db2.gz FKUUBVMKHXGVTQ-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000251984037 572259715 /nfs/dbraw/zinc/25/97/15/572259715.db2.gz GTNQFPSPBDTSOO-VWLOTQADSA-N 1 0 586.578 5.911 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013962 572259894 /nfs/dbraw/zinc/25/98/94/572259894.db2.gz UQNVPDTYVMDFBI-RUZDIDTESA-N 1 0 525.672 5.288 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000252021453 572259931 /nfs/dbraw/zinc/25/99/31/572259931.db2.gz YQXYHCFNRYCZPD-UHFFFAOYSA-N 1 0 586.578 5.911 50 0 KKAARO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252370327 572260188 /nfs/dbraw/zinc/26/01/88/572260188.db2.gz XNRXEFIYPDBAQT-QFIPXVFZSA-N 1 0 531.498 6.762 50 0 KKAARO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370521 572260254 /nfs/dbraw/zinc/26/02/54/572260254.db2.gz YDQYBSGQBJBFSV-OAQYLSRUSA-N 1 0 531.498 6.762 50 0 KKAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000252428363 572260589 /nfs/dbraw/zinc/26/05/89/572260589.db2.gz ZRZZJVAOTLZBAC-OGVVQZFKSA-N 1 0 536.031 5.423 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3C4=C(CCCC4)C(=O)N3C[C@H]3CCCO3)CCC[C@]21C ZINC000252444310 572261027 /nfs/dbraw/zinc/26/10/27/572261027.db2.gz BEEWXJLOUGNKKP-AXEIPPLRSA-N 1 0 504.759 6.628 50 0 KKAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585641 572264765 /nfs/dbraw/zinc/26/47/65/572264765.db2.gz KBLHILREQNVSSP-LBULEFPHSA-N 1 0 625.597 5.054 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252586547 572265475 /nfs/dbraw/zinc/26/54/75/572265475.db2.gz QTBOIOVFPCNPIH-CWPHAVIXSA-N 1 0 617.206 5.021 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252587101 572265892 /nfs/dbraw/zinc/26/58/92/572265892.db2.gz VPZSVEGKGKSXKT-IHPMYELASA-N 1 0 604.836 5.105 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252587518 572266254 /nfs/dbraw/zinc/26/62/54/572266254.db2.gz YWMBPVDTEHODPQ-GWKPCNLLSA-N 1 0 639.624 5.444 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373354 572282219 /nfs/dbraw/zinc/28/22/19/572282219.db2.gz INUYKDTWZDTVGN-HXLKRRFRSA-N 1 0 572.636 6.596 50 0 KKAARO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000253387883 572282843 /nfs/dbraw/zinc/28/28/43/572282843.db2.gz IDKAKZRYYDCJDU-HEVVSWJASA-N 1 0 562.513 5.303 50 0 KKAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253388991 572283162 /nfs/dbraw/zinc/28/31/62/572283162.db2.gz QFHVEBHURJSVJE-LYZGTLIUSA-N 1 0 520.674 5.298 50 0 KKAARO Clc1ccc(CC[NH2+]Cc2nn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c(Cl)c1 ZINC000253490421 572291564 /nfs/dbraw/zinc/29/15/64/572291564.db2.gz IPONICITOWLYAL-UHFFFAOYSA-N 1 0 506.264 6.939 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607295 572300874 /nfs/dbraw/zinc/30/08/74/572300874.db2.gz JFTFMJBDKCHXTK-LJAQVGFWSA-N 1 0 565.762 5.607 50 0 KKAARO CCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607217 572300922 /nfs/dbraw/zinc/30/09/22/572300922.db2.gz CAUSFYGABPVROI-JOCHJYFZSA-N 1 0 531.498 6.591 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607392 572300964 /nfs/dbraw/zinc/30/09/64/572300964.db2.gz QUVHGMSQBNXAKF-RUZDIDTESA-N 1 0 539.699 5.849 50 0 KKAARO CCCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000253607548 572301039 /nfs/dbraw/zinc/30/10/39/572301039.db2.gz WCEWYHQHGVRDEW-QFIPXVFZSA-N 1 0 531.498 6.591 50 0 KKAARO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@@H]32)[N@H+](C)C1 ZINC000257359385 572322174 /nfs/dbraw/zinc/32/21/74/572322174.db2.gz ZXIDTTGVCKUJNE-UKINDIFNSA-N 1 0 767.001 6.929 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000409414750 1069811326 /nfs/dbraw/zinc/81/13/26/1069811326.db2.gz WIPTXFZRGNBGPD-BVKYAAJPSA-N 1 0 572.750 5.101 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734106 1069837222 /nfs/dbraw/zinc/83/72/22/1069837222.db2.gz XKLRAYLCHHZTLR-UXMGRTHOSA-N 1 0 592.780 6.626 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 ZINC000524733158 1069838547 /nfs/dbraw/zinc/83/85/47/1069838547.db2.gz ZYVRMBMEFVKOIS-KLESUSOLSA-N 1 0 562.798 7.519 50 0 KKAARO COc1ccc(C[N@@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000102130040 1069843770 /nfs/dbraw/zinc/84/37/70/1069843770.db2.gz AGMKEARLIPHVTN-HVNZXBJASA-N 1 0 573.709 6.211 50 0 KKAARO COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c1 ZINC000102261928 1069852951 /nfs/dbraw/zinc/85/29/51/1069852951.db2.gz FDFZUZKWPMKAAJ-LJAQVGFWSA-N 1 0 553.703 6.348 50 0 KKAARO COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4cccc5ccccc54)c3)CC2)c1 ZINC000102698456 1069863038 /nfs/dbraw/zinc/86/30/38/1069863038.db2.gz IQHUJALONCWZNF-UHFFFAOYSA-N 1 0 560.716 5.721 50 0 KKAARO Cc1c(C[NH+]2CCC(n3c4ccc(C(F)(F)F)cc4nc3[C@@H]3CCCO3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000102711280 1069865506 /nfs/dbraw/zinc/86/55/06/1069865506.db2.gz BFSDNKALOUVEJL-SANMLTNESA-N 1 0 539.602 5.542 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)NCc1cc2ccccc2s1 ZINC000023506297 1070604659 /nfs/dbraw/zinc/60/46/59/1070604659.db2.gz OITLCXFGLLRPFZ-UHFFFAOYSA-N 1 0 520.658 5.612 50 0 KKAARO CCCN1c2cc(O)ccc2S/C1=C\C=C(\C=C\c1sc2ccc(O)cc2[n+]1CCC)CCCO ZINC000685944234 1070939920 /nfs/dbraw/zinc/93/99/20/1070939920.db2.gz FNNRVFPDAOHVHD-UHFFFAOYSA-O 1 0 509.717 6.586 50 0 KKAARO CCN1c2cc(Cl)c(Cl)cc2N(c2ccccc2)/C1=C\C=C\C=C\c1n(-c2ccccc2)c2cc(Cl)c(Cl)cc2[n+]1CC ZINC000685944787 1070946151 /nfs/dbraw/zinc/94/61/51/1070946151.db2.gz XUEJQPHPYTUQJA-UHFFFAOYSA-N 1 0 647.457 10.641 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647611 1070952514 /nfs/dbraw/zinc/95/25/14/1070952514.db2.gz RHNIPZDOWWMUPQ-WNJJXGMVSA-N 1 0 546.708 5.531 50 0 KKAARO CC(C)n1cc(CN2CCC[N@H+](Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179192 1070974017 /nfs/dbraw/zinc/97/40/17/1070974017.db2.gz CKUKQQNJIARHJA-WJOKGBTCSA-N 1 0 509.698 5.573 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]C3CCCCCCC3)CN1Cc1ccc(Cl)cc1)CC2 ZINC000299771423 1071048005 /nfs/dbraw/zinc/04/80/05/1071048005.db2.gz ZYKKLUWGSZZCHN-IZLXSDGUSA-N 1 0 540.148 5.588 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000199305829 1071136396 /nfs/dbraw/zinc/13/63/96/1071136396.db2.gz KWOQSHGUZLBVQR-XZWHSSHBSA-N 1 0 545.658 6.525 50 0 KKAARO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000575442694 1071141312 /nfs/dbraw/zinc/14/13/12/1071141312.db2.gz IDKAKZRYYDCJDU-QMCMZMAQSA-N 1 0 562.513 5.303 50 0 KKAARO COc1ccccc1/C=C/C[NH+](C/C=C/c1ccccc1OC)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000170620272 1071187022 /nfs/dbraw/zinc/18/70/22/1071187022.db2.gz ACEQBKFUPFNTRW-ZEDZZHEHSA-N 1 0 511.588 6.210 50 0 KKAARO CSc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000032520320 1071189243 /nfs/dbraw/zinc/18/92/43/1071189243.db2.gz ODSLYQJXZWXPAZ-IGKIAQTJSA-N 1 0 512.094 5.293 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881536 1071233025 /nfs/dbraw/zinc/23/30/25/1071233025.db2.gz JPWBERJMXKUKJK-GDLZYMKVSA-N 1 0 523.677 6.339 50 0 KKAARO FC(F)(F)c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012242928 1071239881 /nfs/dbraw/zinc/23/98/81/1071239881.db2.gz AGKXJWZHQVNWDW-OAQYLSRUSA-N 1 0 507.940 6.126 50 0 KKAARO CCCOc1ccc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCn2cc(nn2)CO4)cc1CO ZINC000952862502 1071297647 /nfs/dbraw/zinc/29/76/47/1071297647.db2.gz AFVYAJZWVBAEJD-JGCGQSQUSA-N 1 0 540.664 5.068 50 0 KKAARO Cc1oc2c(cc3c(C)c(CC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1-c1ccccc1 ZINC000827847634 1071340052 /nfs/dbraw/zinc/34/00/52/1071340052.db2.gz DFDBBLRKAKHCGR-WNCULLNHSA-N 1 0 512.650 6.055 50 0 KKAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014747374 1072892247 /nfs/dbraw/zinc/89/22/47/1072892247.db2.gz WRXDHXMXJVRQLP-UHFFFAOYSA-N 1 0 524.665 5.167 50 0 KKAARO Cc1nc(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)cs1 ZINC000014955266 1072892880 /nfs/dbraw/zinc/89/28/80/1072892880.db2.gz PDYWSKWKGZMOMX-HXUWFJFHSA-N 1 0 526.102 5.456 50 0 KKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccccc2)C3)C1 ZINC000014882902 1072893176 /nfs/dbraw/zinc/89/31/76/1072893176.db2.gz ZIFXLUFTCVJGSM-QHCPKHFHSA-N 1 0 505.058 5.691 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2ccccc2)c1)Cc1cccc2cccnc21 ZINC000014997679 1072895571 /nfs/dbraw/zinc/89/55/71/1072895571.db2.gz YAIHBDBLJCKCOO-PMERELPUSA-N 1 0 507.678 6.260 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1)Cc1cccc2ncccc12 ZINC000015000461 1072895862 /nfs/dbraw/zinc/89/58/62/1072895862.db2.gz MMTKVIYGEWUDKZ-UHFFFAOYSA-N 1 0 531.660 5.736 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000020994618 1072898567 /nfs/dbraw/zinc/89/85/67/1072898567.db2.gz MXYIDRRCBMUBOD-FTJBHMTQSA-N 1 0 512.094 5.073 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CN1Cc1cccc(Cl)c1 ZINC000211121291 1072911465 /nfs/dbraw/zinc/91/14/65/1072911465.db2.gz OEEWEXOWMKLEQG-JSOSNVBQSA-N 1 0 568.117 5.827 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000000626553 193857737 /nfs/dbraw/zinc/85/77/37/193857737.db2.gz MUTYIBZJFUUPAA-QFIPXVFZSA-N 1 0 557.330 5.498 50 0 KKAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000000716330 551534325 /nfs/dbraw/zinc/53/43/25/551534325.db2.gz QVZUKZDSPXFHMQ-UHFFFAOYSA-N 1 0 548.481 5.593 50 0 KKAARO CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000001486219 551683067 /nfs/dbraw/zinc/68/30/67/551683067.db2.gz IFPPYSWJNWHOLQ-UHFFFAOYSA-N 1 0 512.441 5.767 50 0 in-man KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001785099 551698913 /nfs/dbraw/zinc/69/89/13/551698913.db2.gz GNNWYTBOSJTXCH-UHFFFAOYSA-N 1 0 588.022 8.407 50 0 KKAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061190 551742729 /nfs/dbraw/zinc/74/27/29/551742729.db2.gz OKPSOGXYILIUFU-DNQXCXABSA-N 1 0 511.796 6.460 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccccc1F ZINC000002119064 551769757 /nfs/dbraw/zinc/76/97/57/551769757.db2.gz XTIKATGLUNBFJD-HKBQPEDESA-N 1 0 508.593 6.709 50 0 biogenic KKAARO CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000002322151 552094414 /nfs/dbraw/zinc/09/44/14/552094414.db2.gz XQHVLQZUBRMASU-ROTAYESASA-N 1 0 526.280 6.706 50 0 KKAARO CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002436443 552118719 /nfs/dbraw/zinc/11/87/19/552118719.db2.gz GGQIYIJKIBHKIH-MHZLTWQESA-N 1 0 533.024 5.531 50 0 KKAARO CCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000002853828 552201848 /nfs/dbraw/zinc/20/18/48/552201848.db2.gz QQPKHIVFSTZNRJ-HHHXNRCGSA-N 1 0 533.024 5.531 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007223 552255279 /nfs/dbraw/zinc/25/52/79/552255279.db2.gz AEANCNZQPUDKIW-UHFFFAOYSA-N 1 0 566.774 5.828 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3cccc(Cl)c3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034078 552268510 /nfs/dbraw/zinc/26/85/10/552268510.db2.gz XKKZRENMPYGCBF-UHFFFAOYSA-N 1 0 547.171 6.274 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3cccc(Br)c3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034073 552268566 /nfs/dbraw/zinc/26/85/66/552268566.db2.gz IGCMXVQWTXXMDJ-UHFFFAOYSA-N 1 0 591.622 6.383 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034080 552268620 /nfs/dbraw/zinc/26/86/20/552268620.db2.gz PHYQJNDNXJNDBR-UHFFFAOYSA-N 1 0 547.171 6.274 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)CC(C)C ZINC000003042036 552273176 /nfs/dbraw/zinc/27/31/76/552273176.db2.gz CMEDZEUOZMDAQZ-UHFFFAOYSA-N 1 0 520.114 5.852 50 0 KKAARO FC(F)(F)c1cccc(OCC[N@H+](CCNc2ncc(C(F)(F)F)cc2Cl)Cc2ccc(Cl)cc2)c1 ZINC000003050222 552277069 /nfs/dbraw/zinc/27/70/69/552277069.db2.gz UDBUOXMBEKDMAW-UHFFFAOYSA-N 1 0 552.346 7.419 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)C1=O ZINC000003063230 552283890 /nfs/dbraw/zinc/28/38/90/552283890.db2.gz MCBBTBPRLMKHMZ-AWSUPERCSA-N 1 0 551.756 6.766 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003063535 552284168 /nfs/dbraw/zinc/28/41/68/552284168.db2.gz VOLQPJGYRMSMKB-UHFFFAOYSA-N 1 0 554.112 5.185 50 0 KKAARO CC(C)CC[NH+](CCC(C)C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000003128836 552291926 /nfs/dbraw/zinc/29/19/26/552291926.db2.gz VFXZDANTVDBTHJ-NRFANRHFSA-N 1 0 538.368 7.075 50 0 KKAARO CC[NH+](CC)CCn1c(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)nc2ccccc21 ZINC000003293215 552341522 /nfs/dbraw/zinc/34/15/22/552341522.db2.gz JSQYFGIUDXLHJL-UHFFFAOYSA-N 1 0 507.063 5.993 50 0 KKAARO C[NH+](C)[C@@H](CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000003339979 552362384 /nfs/dbraw/zinc/36/23/84/552362384.db2.gz MIZAFJAPVDZMMH-DEOSSOPVSA-N 1 0 512.601 5.615 50 0 KKAARO COc1ccc(NC(=O)COc2ccc([C@H]3[NH2+]C[C@@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410216 552381900 /nfs/dbraw/zinc/38/19/00/552381900.db2.gz DQJZKQXBCINRDZ-NRUKRWIHSA-N 1 0 568.073 6.681 50 0 KKAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1Cl ZINC000003418976 552383307 /nfs/dbraw/zinc/38/33/07/552383307.db2.gz WBPKHBXLHPYZRJ-QFIPXVFZSA-N 1 0 501.483 6.515 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586701 552391726 /nfs/dbraw/zinc/39/17/26/552391726.db2.gz IQEUMANJVAMWKF-WEMUVCOSSA-N 1 0 531.656 5.824 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586753 552391759 /nfs/dbraw/zinc/39/17/59/552391759.db2.gz XDRJTWVHSFGAEC-GZZLJNBRSA-N 1 0 545.683 6.214 50 0 KKAARO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000003938668 552423096 /nfs/dbraw/zinc/42/30/96/552423096.db2.gz OYONTEXKYJZFHA-SSHUPFPWSA-N 1 0 641.621 6.105 50 0 in-vivo KKAARO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941150 552423102 /nfs/dbraw/zinc/42/31/02/552423102.db2.gz GCDHMGROXQUFNR-HEVIKAOCSA-N 1 0 599.860 7.052 50 0 in-vivo KKAARO COc1ccc(CC[NH2+]CCc2cc(OC)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1OCc1ccccc1 ZINC000004576917 552468362 /nfs/dbraw/zinc/46/83/62/552468362.db2.gz PDWWJAVJSZPMDA-UHFFFAOYSA-N 1 0 603.759 7.816 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762037 552478472 /nfs/dbraw/zinc/47/84/72/552478472.db2.gz ARKGPKYZEJDRCS-HKBQPEDESA-N 1 0 615.800 5.027 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762055 552478587 /nfs/dbraw/zinc/47/85/87/552478587.db2.gz FSYBTXGFCLGCMS-LJAQVGFWSA-N 1 0 606.192 5.282 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762079 552478877 /nfs/dbraw/zinc/47/88/77/552478877.db2.gz AFOAFQMXIOXLEO-SSEXGKCCSA-N 1 0 617.841 5.350 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166822 552556850 /nfs/dbraw/zinc/55/68/50/552556850.db2.gz TUTXQRXWLUBWJC-UHFFFAOYSA-N 1 0 625.684 8.563 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166823 552556892 /nfs/dbraw/zinc/55/68/92/552556892.db2.gz JHAPTZYDDJBBJH-UHFFFAOYSA-N 1 0 597.630 8.071 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166818 552556954 /nfs/dbraw/zinc/55/69/54/552556954.db2.gz DYKBPLVIWFTWEB-UHFFFAOYSA-N 1 0 639.711 8.871 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166831 552557171 /nfs/dbraw/zinc/55/71/71/552557171.db2.gz UDIRTOXKJRBYQK-UHFFFAOYSA-N 1 0 618.048 8.416 50 0 KKAARO CC(C)c1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCC[N@H+](Cc4ccccc4)C(C)C)c(O)c3c2)cc1 ZINC000006181475 552562223 /nfs/dbraw/zinc/56/22/23/552562223.db2.gz CGQJNWXYHJHLKU-UHFFFAOYSA-N 1 0 560.720 5.093 50 0 KKAARO CC[NH+](CC)C[C@@H](O)CO[C@@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000008398908 553000076 /nfs/dbraw/zinc/00/00/76/553000076.db2.gz SGZKVAGYMSSVIL-IHLOFXLRSA-N 1 0 521.705 6.721 50 0 KKAARO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008398990 553000302 /nfs/dbraw/zinc/00/03/02/553000302.db2.gz LLGZHXKYLRDRCB-UHFFFAOYSA-N 1 0 500.042 5.113 50 0 aggregator KKAARO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008399005 553000370 /nfs/dbraw/zinc/00/03/70/553000370.db2.gz ROGAOFMHAQAPFV-UHFFFAOYSA-N 1 0 514.069 5.503 50 0 aggregator KKAARO O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444824 553052080 /nfs/dbraw/zinc/05/20/80/553052080.db2.gz PDXWEDPGKPWEPA-AOWZQLQLSA-N 1 0 592.504 6.033 50 0 KKAARO Cc1ccccc1Nc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000008583514 553079780 /nfs/dbraw/zinc/07/97/80/553079780.db2.gz QEOOKQLPNSLSAJ-UHFFFAOYSA-N 1 0 514.073 5.882 50 0 aggregator KKAARO COc1cc(OC)cc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000008591364 553082492 /nfs/dbraw/zinc/08/24/92/553082492.db2.gz UAVDIVITZJRUDE-UHFFFAOYSA-N 1 0 513.594 6.144 50 0 KKAARO COc1ccc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597488 553092997 /nfs/dbraw/zinc/09/29/97/553092997.db2.gz XMCLUQFRPCBTQF-UHFFFAOYSA-N 1 0 551.732 5.086 50 0 KKAARO CCOc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)oc3C)CC2)cc1OCC ZINC000008597424 553093044 /nfs/dbraw/zinc/09/30/44/553093044.db2.gz LNSCHUPHLOYIPD-UHFFFAOYSA-N 1 0 551.684 5.036 50 0 KKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(C)o2)cc1 ZINC000008597798 553094057 /nfs/dbraw/zinc/09/40/57/553094057.db2.gz IZGZWVVFFWOPDG-RUZDIDTESA-N 1 0 521.105 5.735 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCCC1 ZINC000008626838 553104186 /nfs/dbraw/zinc/10/41/86/553104186.db2.gz GBLHKPSQAWGHOM-OAHLLOKOSA-N 1 0 545.113 5.929 50 0 KKAARO COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717727 553129152 /nfs/dbraw/zinc/12/91/52/553129152.db2.gz YWMOMAQSONHXLU-SANMLTNESA-N 1 0 518.455 5.994 50 0 KKAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008717726 553129167 /nfs/dbraw/zinc/12/91/67/553129167.db2.gz YJPOVLRMTGZEIO-AREMUKBSSA-N 1 0 502.456 6.293 50 0 KKAARO CC1(C)[C@@H]2CC[C@]3(C)[C@H](C=CC4=C5C[C@](C)(C(=O)OCC[NH3+])CC(=O)[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000008740003 553131633 /nfs/dbraw/zinc/13/16/33/553131633.db2.gz DOKJVTCSBRXQNS-QGGJLCHQSA-N 1 0 511.747 5.750 50 0 biogenic KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000008816747 553152135 /nfs/dbraw/zinc/15/21/35/553152135.db2.gz MZOJXXWNQSEXTR-RUZDIDTESA-N 1 0 518.455 5.994 50 0 KKAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000008834865 553161181 /nfs/dbraw/zinc/16/11/81/553161181.db2.gz ZHOWOXRSUXEMGK-HSZRJFAPSA-N 1 0 513.432 5.231 50 0 KKAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+]2CCCCC2)cc1OCC ZINC000008836992 553163476 /nfs/dbraw/zinc/16/34/76/553163476.db2.gz YRCVVYVOYFBEST-AREMUKBSSA-N 1 0 524.702 5.436 50 0 biogenic KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927613 553191774 /nfs/dbraw/zinc/19/17/74/553191774.db2.gz AJSIBJJWQSSBCN-VWLOTQADSA-N 1 0 503.668 6.460 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927615 553192091 /nfs/dbraw/zinc/19/20/91/553192091.db2.gz AJSIBJJWQSSBCN-RUZDIDTESA-N 1 0 503.668 6.460 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095146 553209326 /nfs/dbraw/zinc/20/93/26/553209326.db2.gz YVDQQDLUQZIAQC-SLGOVJDISA-N 1 0 522.693 5.925 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009185420 553217204 /nfs/dbraw/zinc/21/72/04/553217204.db2.gz DDLTVXAHSAVDRX-HHHXNRCGSA-N 1 0 522.476 7.530 50 0 KKAARO CC[NH+](CC)CCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009307691 553237156 /nfs/dbraw/zinc/23/71/56/553237156.db2.gz BHVJPTDFTYBARW-UHFFFAOYSA-N 1 0 501.766 6.155 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009407171 553256792 /nfs/dbraw/zinc/25/67/92/553256792.db2.gz VJTDEFHECFLXHS-FQLXRVMXSA-N 1 0 530.738 5.013 50 0 KKAARO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]C3CCN(Cc4ccccc4)CC3)cc21 ZINC000009409355 553257188 /nfs/dbraw/zinc/25/71/88/553257188.db2.gz WZYOLYLGHVLBLE-LJAQVGFWSA-N 1 0 525.693 5.444 50 0 KKAARO C[NH+](C)CCCNc1nc(SCc2ccccc2)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000009424396 553258728 /nfs/dbraw/zinc/25/87/28/553258728.db2.gz UBFIEJKGRKNOSV-UHFFFAOYSA-N 1 0 525.747 7.051 50 0 KKAARO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009609568 553287907 /nfs/dbraw/zinc/28/79/07/553287907.db2.gz DEAHJLUMBLZPSF-UHFFFAOYSA-N 1 0 502.062 5.380 50 0 KKAARO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610295 553288349 /nfs/dbraw/zinc/28/83/49/553288349.db2.gz USISLWQQPQWZNY-UHFFFAOYSA-N 1 0 537.752 5.966 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)c1 ZINC000009674029 553294668 /nfs/dbraw/zinc/29/46/68/553294668.db2.gz XYOXMBAYGCJGKY-UHFFFAOYSA-N 1 0 510.682 5.559 50 0 KKAARO CCOc1ccc(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678497 553295543 /nfs/dbraw/zinc/29/55/43/553295543.db2.gz VQEQGQVUOIRMSH-JOCHJYFZSA-N 1 0 529.706 6.001 50 0 KKAARO CSc1cccc(Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000009680852 553296774 /nfs/dbraw/zinc/29/67/74/553296774.db2.gz QXNHQCZUDVWHOE-UHFFFAOYSA-N 1 0 524.734 6.775 50 0 KKAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000009763732 553303530 /nfs/dbraw/zinc/30/35/30/553303530.db2.gz URKGXGFFTIQJJG-UHFFFAOYSA-N 1 0 513.682 5.225 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4ccc(F)cc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777098 553306461 /nfs/dbraw/zinc/30/64/61/553306461.db2.gz RFQMHRYDSJKDAV-UHFFFAOYSA-N 1 0 505.977 6.919 50 0 KKAARO COc1ccc(CCC(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000009777097 553306491 /nfs/dbraw/zinc/30/64/91/553306491.db2.gz REYKJYYVSSSBRH-UHFFFAOYSA-N 1 0 511.622 6.454 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777100 553306518 /nfs/dbraw/zinc/30/65/18/553306518.db2.gz PQSHBSTUGSWFNW-UHFFFAOYSA-N 1 0 518.013 6.545 50 0 KKAARO Cc1cccc(-c2nc3c4ccccc4nc(NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)n3n2)c1 ZINC000009968712 553321709 /nfs/dbraw/zinc/32/17/09/553321709.db2.gz AIKMYVXFYOOJHQ-UHFFFAOYSA-N 1 0 512.061 5.531 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012039692 553350376 /nfs/dbraw/zinc/35/03/76/553350376.db2.gz XVLKNTPHTFYZQT-UHFFFAOYSA-N 1 0 569.649 6.118 50 0 KKAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)s1 ZINC000012122246 553351726 /nfs/dbraw/zinc/35/17/26/553351726.db2.gz OSCPQBYIUOGDAM-HHHXNRCGSA-N 1 0 513.707 6.701 50 0 KKAARO O=c1c(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc2ccc(F)cc2n1Cc1cccnc1 ZINC000012152975 553352829 /nfs/dbraw/zinc/35/28/29/553352829.db2.gz FSODOMVIIJVTCE-UHFFFAOYSA-N 1 0 511.519 5.086 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000012157522 553352994 /nfs/dbraw/zinc/35/29/94/553352994.db2.gz WTCLHJUMKJFFTF-UHFFFAOYSA-N 1 0 510.663 5.865 50 0 KKAARO COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1 ZINC000012160900 553353038 /nfs/dbraw/zinc/35/30/38/553353038.db2.gz KRJCZDPVYAAWCR-OAQYLSRUSA-N 1 0 532.637 5.027 50 0 KKAARO Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000012208164 553354097 /nfs/dbraw/zinc/35/40/97/553354097.db2.gz GFONMSGSVSWZJI-UHFFFAOYSA-N 1 0 525.696 5.370 50 0 KKAARO C[C@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012498121 553381982 /nfs/dbraw/zinc/38/19/82/553381982.db2.gz QTFXBQOZVSBZQK-UDNBHOFDSA-N 1 0 517.698 7.586 50 0 KKAARO Brc1ccc(N=[P@](c2ccccc2)([C@@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000013301180 553457828 /nfs/dbraw/zinc/45/78/28/553457828.db2.gz BHWBEBOUVXNHCN-NYFMKLKXSA-N 1 0 530.447 5.623 50 0 KKAARO O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013320575 553458428 /nfs/dbraw/zinc/45/84/28/553458428.db2.gz STJLXCWORSRMKU-UHFFFAOYSA-N 1 0 530.510 6.391 50 0 KKAARO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccncc3)nc12 ZINC000013322438 553458663 /nfs/dbraw/zinc/45/86/63/553458663.db2.gz BCCAWCVAHYALHJ-UHFFFAOYSA-N 1 0 501.074 5.985 50 0 KKAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c2ccccc21 ZINC000014540937 553518521 /nfs/dbraw/zinc/51/85/21/553518521.db2.gz OPOPEKUJCPFDGQ-UHFFFAOYSA-N 1 0 521.665 5.005 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cnn4cccnc34)CC2)c1)Cc1cccc2ccccc21 ZINC000014960362 553522685 /nfs/dbraw/zinc/52/26/85/553522685.db2.gz OPNOBNLRUBJIGQ-UHFFFAOYSA-N 1 0 505.622 5.198 50 0 KKAARO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH2+]CC)c(I)c1 ZINC000014969354 553522890 /nfs/dbraw/zinc/52/28/90/553522890.db2.gz VXOKDLACQICQFA-UHFFFAOYSA-N 1 0 617.265 6.204 50 0 world KKAARO Cc1cc(C)n(CC(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995850 553524379 /nfs/dbraw/zinc/52/43/79/553524379.db2.gz XUBHJZLRKMJSAM-MHZLTWQESA-N 1 0 510.682 5.603 50 0 KKAARO O=C(c1cc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305591 553531327 /nfs/dbraw/zinc/53/13/27/553531327.db2.gz OWUINTCBNUFMTE-VZLBDIDMSA-N 1 0 521.709 5.756 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305602 553531397 /nfs/dbraw/zinc/53/13/97/553531397.db2.gz OWUINTCBNUFMTE-LBICYLCLSA-N 1 0 521.709 5.756 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947151 553545163 /nfs/dbraw/zinc/54/51/63/553545163.db2.gz HGTFWVYNDIUXQM-SANMLTNESA-N 1 0 513.619 5.936 50 0 KKAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947044 553545196 /nfs/dbraw/zinc/54/51/96/553545196.db2.gz RAEGGGVRFWEYEI-QHCPKHFHSA-N 1 0 512.031 5.825 50 0 KKAARO CC(C)(C)c1cc2cc(N(C(=O)c3ccc(C(F)(F)F)cc3)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000016080056 553555201 /nfs/dbraw/zinc/55/52/01/553555201.db2.gz JMXFNACCXBDZLU-UHFFFAOYSA-N 1 0 533.638 7.796 50 0 KKAARO COCCN(Cc1nc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cs1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000016459531 553565388 /nfs/dbraw/zinc/56/53/88/553565388.db2.gz LQPDEWAHLDBJHN-UHFFFAOYSA-N 1 0 537.730 5.151 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000017287572 553592056 /nfs/dbraw/zinc/59/20/56/553592056.db2.gz QMEDDAXNFCJCKR-UHFFFAOYSA-N 1 0 517.651 5.533 50 0 KKAARO CCOc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000068582916 553592079 /nfs/dbraw/zinc/59/20/79/553592079.db2.gz KEVVQDVLUNYZPF-VEUXQKSVSA-N 1 0 620.790 7.554 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000070670211 553600826 /nfs/dbraw/zinc/60/08/26/553600826.db2.gz HFQJBUQVKPUIOI-HSZRJFAPSA-N 1 0 621.167 7.278 50 0 biogenic KKAARO CCOC(=O)/C=C(\CSc1nc2ccccc2s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020169631 553601924 /nfs/dbraw/zinc/60/19/24/553601924.db2.gz BDKYCZSCFKLOND-NJNXFGOHSA-N 1 0 529.731 6.243 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000070687335 553606706 /nfs/dbraw/zinc/60/67/06/553606706.db2.gz JGPPKNUAZRWESR-ISDVHYKUSA-N 1 0 561.694 6.497 50 0 biogenic KKAARO Ic1ccccc1CN[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000019364273 553613878 /nfs/dbraw/zinc/61/38/78/553613878.db2.gz WSLTYZVXORBNLB-KAYWLYCHSA-N 1 0 508.447 5.676 50 0 in-vitro KKAARO c1[nH]c2ccc(OCc3ccccc3)cc2c1CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000019720139 553615845 /nfs/dbraw/zinc/61/58/45/553615845.db2.gz RMPNSOIFFLUIHP-UHFFFAOYSA-N 1 0 508.665 7.871 50 0 KKAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(CC)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700046 553617673 /nfs/dbraw/zinc/61/76/73/553617673.db2.gz CRERHORROZTATG-RQGZQSEYSA-N 1 0 535.644 5.052 50 0 biogenic KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[N@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070701227 553621150 /nfs/dbraw/zinc/62/11/50/553621150.db2.gz CPJHDWYZEVQMHG-FQUZMCFVSA-N 1 0 553.784 6.286 50 0 biogenic KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286246 553632172 /nfs/dbraw/zinc/63/21/72/553632172.db2.gz TWTNLYDIMOFDPL-UHFFFAOYSA-N 1 0 513.494 6.007 50 0 KKAARO O=c1cc(CSc2nc3ccccc3s2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019913799 553633561 /nfs/dbraw/zinc/63/35/61/553633561.db2.gz IKCJXQSTJQCNNR-UHFFFAOYSA-N 1 0 525.703 5.584 50 0 KKAARO CCCSc1ccccc1CN(C)N1c2ccccc2[C@@](CC[NH+](CC)CC)(c2ccccc2)C1=O ZINC000071767367 553636307 /nfs/dbraw/zinc/63/63/07/553636307.db2.gz NMMQSDBRVOUTAI-WJOKGBTCSA-N 1 0 501.740 6.600 50 0 KKAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N(C)Cc2ccccc2SC(C)C)C1=O ZINC000071767385 553636498 /nfs/dbraw/zinc/63/64/98/553636498.db2.gz YTMCUULROSPTMK-HKBQPEDESA-N 1 0 501.740 6.599 50 0 KKAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355161 553640776 /nfs/dbraw/zinc/64/07/76/553640776.db2.gz WZUPHEDXXYWDIW-SIBAOGJBSA-N 1 0 525.718 6.198 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355316 553641439 /nfs/dbraw/zinc/64/14/39/553641439.db2.gz VQVDDNZEEQLZSR-XGQZYHQRSA-N 1 0 537.704 6.345 50 0 KKAARO CC(C)CC[C@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020386597 553644059 /nfs/dbraw/zinc/64/40/59/553644059.db2.gz BUBPACAMFNRYID-NRFANRHFSA-N 1 0 515.521 6.588 50 0 KKAARO Cc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)ccc1Br ZINC000020386614 553644075 /nfs/dbraw/zinc/64/40/75/553644075.db2.gz VJRIEKKGGXLZFL-JOCHJYFZSA-N 1 0 529.548 6.897 50 0 KKAARO CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000020386546 553644131 /nfs/dbraw/zinc/64/41/31/553644131.db2.gz WBFFGWZLLSMJCY-SFHVURJKSA-N 1 0 503.068 5.860 50 0 KKAARO COc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc(OC)c1OC ZINC000020386607 553644160 /nfs/dbraw/zinc/64/41/60/553644160.db2.gz NIIMPCVNCFEEPU-OAQYLSRUSA-N 1 0 526.703 5.852 50 0 KKAARO c1ccc(-c2oc3ncn4nc(CC[N@@H+]5CCCC[C@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437267 553648626 /nfs/dbraw/zinc/64/86/26/553648626.db2.gz VMUNPUZYQPNZMA-VWLOTQADSA-N 1 0 500.606 6.369 50 0 KKAARO CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)o2)cc1 ZINC000020608076 553677827 /nfs/dbraw/zinc/67/78/27/553677827.db2.gz LWUXGESXTBRRBD-UHFFFAOYSA-N 1 0 508.662 7.423 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCC[NH+](CC)CC)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000020680688 553688221 /nfs/dbraw/zinc/68/82/21/553688221.db2.gz PNYZGZHQJPWVSM-UHFFFAOYSA-N 1 0 512.654 5.833 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)CCc1ccccc1 ZINC000020727072 553690696 /nfs/dbraw/zinc/69/06/96/553690696.db2.gz IGBKOHIFZOHQJE-XHPQRKPJSA-N 1 0 506.071 5.111 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727895 553691000 /nfs/dbraw/zinc/69/10/00/553691000.db2.gz CCDKHTHZGUTIQZ-VYUMYAIBSA-N 1 0 531.644 5.956 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)cc1 ZINC000020732139 553692119 /nfs/dbraw/zinc/69/21/19/553692119.db2.gz KCEVTJFTUATZRX-CUFSWWAQSA-N 1 0 537.704 6.060 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020733604 553693014 /nfs/dbraw/zinc/69/30/14/553693014.db2.gz YWUBPAZQQXJDMW-JBASAIQMSA-N 1 0 527.640 5.053 50 0 KKAARO Cc1cccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1C ZINC000020733215 553693025 /nfs/dbraw/zinc/69/30/25/553693025.db2.gz DMFNEUDJRGPFOG-UHFFFAOYSA-N 1 0 537.217 7.660 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020736968 553694242 /nfs/dbraw/zinc/69/42/42/553694242.db2.gz DAIZMNHPGARFCZ-JBASAIQMSA-N 1 0 527.734 6.527 50 0 KKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)cc3N(C)C2=O)c1 ZINC000020737866 553694868 /nfs/dbraw/zinc/69/48/68/553694868.db2.gz AOGPRYSOIZIJIU-XHLNEMQHSA-N 1 0 532.754 5.175 50 0 KKAARO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020116140 553697401 /nfs/dbraw/zinc/69/74/01/553697401.db2.gz PPHULBYGHFCGID-JEAUEKKMSA-N 1 0 505.747 5.386 50 0 KKAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C4)cs1 ZINC000020917312 553703886 /nfs/dbraw/zinc/70/38/86/553703886.db2.gz FGXGPTSTGJRHHO-DYVFJYSZSA-N 1 0 504.603 5.498 50 0 KKAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C4)cs1 ZINC000020917324 553703902 /nfs/dbraw/zinc/70/39/02/553703902.db2.gz FGXGPTSTGJRHHO-CXAGYDPISA-N 1 0 504.603 5.498 50 0 KKAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021162947 553708965 /nfs/dbraw/zinc/70/89/65/553708965.db2.gz RZNVSGQGISYDNU-UHFFFAOYSA-N 1 0 521.709 5.390 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000021486924 553709889 /nfs/dbraw/zinc/70/98/89/553709889.db2.gz RMJFSURTHRYTEK-ZPGRZCPFSA-N 1 0 524.712 7.763 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Br)cc2Br)nc2ccc(OC)cc21 ZINC000095721747 553710122 /nfs/dbraw/zinc/71/01/22/553710122.db2.gz YWPCLBUQOZWORF-MDNBWPLSSA-N 1 0 576.377 7.256 50 0 KKAARO CN1c2ccccc2C(C)(C)/C1=C/C=C\C1=C/C(=C\C=C/C2=[N+](C)c3ccccc3C2(C)C)CC(C)(C)C1 ZINC000095908766 553714799 /nfs/dbraw/zinc/71/47/99/553714799.db2.gz DGXFQDGZSMXQFG-UHFFFAOYSA-N 1 0 503.754 8.789 50 0 KKAARO CCOC(=O)c1c(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)sc(Br)c1-c1ccccc1 ZINC000022037693 553723249 /nfs/dbraw/zinc/72/32/49/553723249.db2.gz JDWXXGVRTHXOHP-IBGZPJMESA-N 1 0 530.488 5.185 50 0 KKAARO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000096272772 553731991 /nfs/dbraw/zinc/73/19/91/553731991.db2.gz VERWOWGGCGHDQE-UHFFFAOYSA-N 1 0 558.148 6.362 50 0 fda KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F ZINC000096275558 553732678 /nfs/dbraw/zinc/73/26/78/553732678.db2.gz ZNKIZPIEHRBTDR-IRPSRAIASA-N 1 0 513.701 6.977 50 0 KKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096277400 553734394 /nfs/dbraw/zinc/73/43/94/553734394.db2.gz WYDPIKXBPLLKDX-MUUNZHRXSA-N 1 0 525.693 5.749 50 0 KKAARO COc1cc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc(OC)c1 ZINC000096281051 553737114 /nfs/dbraw/zinc/73/71/14/553737114.db2.gz SRMFYIIEZVCGJX-UHFFFAOYSA-N 1 0 529.563 5.474 50 0 KKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CC[NH+]([C@@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000022790025 553750272 /nfs/dbraw/zinc/75/02/72/553750272.db2.gz DCQOJPJDONNMCF-IXCJQBJRSA-N 1 0 536.701 5.079 50 0 KKAARO CC(C)[NH2+]C[C@H](O)CO[C@H](CN(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000096580067 553756096 /nfs/dbraw/zinc/75/60/96/553756096.db2.gz QDVQRNIBPWUUKM-URLMMPGGSA-N 1 0 507.678 6.377 50 0 KKAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000097940117 553763590 /nfs/dbraw/zinc/76/35/90/553763590.db2.gz KUYHIOPCDBYYEW-PTGVWUEVSA-N 1 0 677.368 5.696 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000097940573 553766128 /nfs/dbraw/zinc/76/61/28/553766128.db2.gz LJPLQJXACBLKJJ-UHFFFAOYSA-N 1 0 542.708 7.302 50 0 KKAARO COCCn1c(Cc2ccccc2)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918431 553766784 /nfs/dbraw/zinc/76/67/84/553766784.db2.gz MURBURRGIKEMON-UHFFFAOYSA-N 1 0 513.711 5.016 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917902 553766801 /nfs/dbraw/zinc/76/68/01/553766801.db2.gz XHWYPQPWPCTFKL-HEVIKAOCSA-N 1 0 526.688 6.553 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917911 553766903 /nfs/dbraw/zinc/76/69/03/553766903.db2.gz XHWYPQPWPCTFKL-KKLWWLSJSA-N 1 0 526.688 6.553 50 0 KKAARO OCC[NH+](C/C=C1/c2ccccc2CSc2ccccc21)C/C=C1/c2ccccc2CSc2ccccc21 ZINC000097944322 553769079 /nfs/dbraw/zinc/76/90/79/553769079.db2.gz SSRKGACISNDXPM-LZUTUTKMSA-N 1 0 533.762 7.756 50 0 KKAARO CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N2CCCCCC2)C1 ZINC000023340413 553774488 /nfs/dbraw/zinc/77/44/88/553774488.db2.gz NHUFYGSJORTTSR-JYFHCDHNSA-N 1 0 508.673 5.109 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(OC)cc2)cc3C(F)F)cc1 ZINC000097945841 553774901 /nfs/dbraw/zinc/77/49/01/553774901.db2.gz BGGBNQZFIRYCNU-UHFFFAOYSA-N 1 0 537.567 5.093 50 0 KKAARO COc1ccc(C([NH2+]CCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)cc(F)c2F)(c2ccccc2)c2ccccc2)cc1 ZINC000097945829 553774953 /nfs/dbraw/zinc/77/49/53/553774953.db2.gz HCBIEOJWJCOTKK-UHFFFAOYSA-N 1 0 685.711 6.195 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000023446991 553780622 /nfs/dbraw/zinc/78/06/22/553780622.db2.gz ZTEKGXJBUIFOAC-UHFFFAOYSA-N 1 0 513.608 5.042 50 0 KKAARO CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000023447081 553780887 /nfs/dbraw/zinc/78/08/87/553780887.db2.gz OLMUXJZBDNHCCZ-QFIPXVFZSA-N 1 0 504.675 5.519 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCC1CCCC1)[C@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000023449296 553781665 /nfs/dbraw/zinc/78/16/65/553781665.db2.gz FZLAUZAGWBYPSX-HKBQPEDESA-N 1 0 503.687 5.952 50 0 KKAARO Cc1cccc(C(=O)Nc2ccc3[nH]cc(CC[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)c3c2)c1 ZINC000023462110 553786540 /nfs/dbraw/zinc/78/65/40/553786540.db2.gz DNHHSMKILAHJRF-UHFFFAOYSA-N 1 0 506.572 6.112 50 0 KKAARO Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(I)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000097947567 553787344 /nfs/dbraw/zinc/78/73/44/553787344.db2.gz OOLOCZDFEWSARE-RRAHZORUSA-N 1 0 633.534 5.291 50 0 KKAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184571 553805811 /nfs/dbraw/zinc/80/58/11/553805811.db2.gz SAVSFDPMZIGHSU-IAPPQJPRSA-N 1 0 515.455 5.105 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@@H](C3)[N@H+](C)CC4)cc1 ZINC000027472964 553825967 /nfs/dbraw/zinc/82/59/67/553825967.db2.gz MPXVMWCGUBXTFN-HHHXNRCGSA-N 1 0 503.598 6.494 50 0 biogenic KKAARO CCOC(=O)c1c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000097954851 553825939 /nfs/dbraw/zinc/82/59/39/553825939.db2.gz MQPZMRZFDIDGCT-UHFFFAOYSA-N 1 0 547.721 5.122 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000097955063 553827902 /nfs/dbraw/zinc/82/79/02/553827902.db2.gz WVLSRGMTEKHJPE-UHFFFAOYSA-N 1 0 550.150 7.567 50 0 KKAARO CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1)c1cc(OC)c(OC)c(OC)c1 ZINC000029128664 553844291 /nfs/dbraw/zinc/84/42/91/553844291.db2.gz NMFHJNAPXOMSRX-PUPDPRJKSA-N 1 0 748.914 6.233 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963430 553890186 /nfs/dbraw/zinc/89/01/86/553890186.db2.gz INBUEUSYEPYDCJ-HXUWFJFHSA-N 1 0 594.828 6.464 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963601 553892171 /nfs/dbraw/zinc/89/21/71/553892171.db2.gz WTKQFFWWDMKMQY-ROUUACIJSA-N 1 0 561.770 5.003 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C/C1=C/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)CC(C)(C)C1 ZINC000097965505 553905178 /nfs/dbraw/zinc/90/51/78/553905178.db2.gz WBQCVAAYMDEIDV-UHFFFAOYSA-N 1 0 611.944 9.273 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357115 553946698 /nfs/dbraw/zinc/94/66/98/553946698.db2.gz NVKURPARSUEINQ-PMERELPUSA-N 1 0 663.841 5.268 50 0 KKAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033357249 553947437 /nfs/dbraw/zinc/94/74/37/553947437.db2.gz XAWWKJZIFXZXII-CONSDPRKSA-N 1 0 543.683 5.698 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435671 553959756 /nfs/dbraw/zinc/95/97/56/553959756.db2.gz REMYYYICRNOILH-DCABOPQKSA-N 1 0 507.675 5.218 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671667 553982370 /nfs/dbraw/zinc/98/23/70/553982370.db2.gz PQQHCQBBIKIGRA-CZNDPXEESA-N 1 0 504.674 6.617 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671785 553982431 /nfs/dbraw/zinc/98/24/31/553982431.db2.gz NUKYPGXWXORPRV-KKLWWLSJSA-N 1 0 518.701 6.925 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671770 553982502 /nfs/dbraw/zinc/98/25/02/553982502.db2.gz OMRZNGCHKCPVCX-JHOUSYSJSA-N 1 0 522.664 6.756 50 0 KKAARO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681770 553985125 /nfs/dbraw/zinc/98/51/25/553985125.db2.gz IMLYHHJYGHPXBH-UHFFFAOYSA-N 1 0 522.493 6.084 50 0 KKAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682675 553985445 /nfs/dbraw/zinc/98/54/45/553985445.db2.gz GFBPLQPSZJXVKI-UHFFFAOYSA-N 1 0 510.609 6.938 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)C4CCCC4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698108 553991220 /nfs/dbraw/zinc/99/12/20/553991220.db2.gz CNFGSVWYBVOVGZ-WNCULLNHSA-N 1 0 515.620 5.268 50 0 KKAARO CC[C@H](C(=O)N1C[C@@H](c2ccccc2OC)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1)c1ccccc1 ZINC000034698559 553991689 /nfs/dbraw/zinc/99/16/89/553991689.db2.gz OORDXFYBIWXKGQ-PYPSMOBWSA-N 1 0 510.722 6.386 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699119 553992068 /nfs/dbraw/zinc/99/20/68/553992068.db2.gz CNTXCCWOMMLYHD-HOFKKMOUSA-N 1 0 516.579 6.760 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699125 553992056 /nfs/dbraw/zinc/99/20/56/553992056.db2.gz QBHQFXCSRWJHIQ-SHQCIBLASA-N 1 0 513.579 6.254 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699140 553992484 /nfs/dbraw/zinc/99/24/84/553992484.db2.gz WHJKGIFSNRYXGY-LBNVMWSVSA-N 1 0 512.616 6.929 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699380 553992658 /nfs/dbraw/zinc/99/26/58/553992658.db2.gz DPQWSEXWSCVMDM-WIIGKZCBSA-N 1 0 524.627 5.875 50 0 KKAARO Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716816 553995568 /nfs/dbraw/zinc/99/55/68/553995568.db2.gz UXUMWYGVNIKARA-IZLXSDGUSA-N 1 0 520.092 5.738 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830257 554015399 /nfs/dbraw/zinc/01/53/99/554015399.db2.gz ZRLFWKYXLLYDCH-PIKZIKFNSA-N 1 0 522.114 5.421 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830438 554015725 /nfs/dbraw/zinc/01/57/25/554015725.db2.gz NDXPHCQJFPTDEB-MWZYUOISSA-N 1 0 527.734 5.257 50 0 KKAARO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830595 554016453 /nfs/dbraw/zinc/01/64/53/554016453.db2.gz DCQJUZJAQYDLIF-PBBNMVCDSA-N 1 0 534.701 5.552 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034832177 554017989 /nfs/dbraw/zinc/01/79/89/554017989.db2.gz XKBRYSUDWTUQMZ-FQEVSTJZSA-N 1 0 527.088 5.948 50 0 KKAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833764 554018359 /nfs/dbraw/zinc/01/83/59/554018359.db2.gz NMMMTDOQKTXPFB-UHFFFAOYSA-N 1 0 510.041 5.921 50 0 KKAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834562 554018953 /nfs/dbraw/zinc/01/89/53/554018953.db2.gz SFMHTABPXYNIAO-UHFFFAOYSA-N 1 0 535.708 5.048 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)NC(C)(C)C ZINC000034835763 554019965 /nfs/dbraw/zinc/01/99/65/554019965.db2.gz VNQWNAHAUFFEMQ-UHFFFAOYSA-N 1 0 500.707 5.070 50 0 KKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034835526 554019993 /nfs/dbraw/zinc/01/99/93/554019993.db2.gz JTGGYEYMFIMJQZ-UHFFFAOYSA-N 1 0 519.709 5.812 50 0 KKAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034835800 554020268 /nfs/dbraw/zinc/02/02/68/554020268.db2.gz UJDJHTRLXGBZNM-UHFFFAOYSA-N 1 0 513.061 5.559 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(OC)c1 ZINC000034835781 554020366 /nfs/dbraw/zinc/02/03/66/554020366.db2.gz UGCBMEYFQWRIJA-UHFFFAOYSA-N 1 0 536.696 5.557 50 0 KKAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000034912335 554029468 /nfs/dbraw/zinc/02/94/68/554029468.db2.gz BMLCSGUEZNKANY-AREMUKBSSA-N 1 0 513.604 5.216 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000097995647 554036425 /nfs/dbraw/zinc/03/64/25/554036425.db2.gz KEKJXQLGRLZFPU-UHFFFAOYSA-N 1 0 535.644 5.627 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000097995649 554036472 /nfs/dbraw/zinc/03/64/72/554036472.db2.gz WGYIZKQIVUNKLF-UHFFFAOYSA-N 1 0 528.436 5.363 50 0 KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035363828 554044717 /nfs/dbraw/zinc/04/47/17/554044717.db2.gz CYIQITBIFVVIGC-JMDPCTNHSA-N 1 0 525.730 5.794 50 0 biogenic KKAARO Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003538 554054753 /nfs/dbraw/zinc/05/47/53/554054753.db2.gz QIOMEZZNUTWCQZ-SXZDHJFLSA-N 1 0 623.222 6.681 50 0 KKAARO COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000098005770 554058570 /nfs/dbraw/zinc/05/85/70/554058570.db2.gz GCMDUCWTYQHROX-UHFFFAOYSA-N 1 0 546.659 5.376 50 0 KKAARO Cc1ccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000035707379 554065249 /nfs/dbraw/zinc/06/52/49/554065249.db2.gz YRMRYHTXKGVBNI-UHFFFAOYSA-N 1 0 525.697 6.024 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000035842584 554080861 /nfs/dbraw/zinc/08/08/61/554080861.db2.gz BEPRMVVJKLGBJD-LJAQVGFWSA-N 1 0 535.773 5.782 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842587 554080882 /nfs/dbraw/zinc/08/08/82/554080882.db2.gz KMHSFFQWXINQFH-LJAQVGFWSA-N 1 0 535.773 5.781 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842582 554080923 /nfs/dbraw/zinc/08/09/23/554080923.db2.gz QKJGMSOXOMQNMG-HKBQPEDESA-N 1 0 539.764 6.352 50 0 KKAARO CC(C)COC[C@@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842651 554081341 /nfs/dbraw/zinc/08/13/41/554081341.db2.gz JQNMNKUASMFAQB-LJAQVGFWSA-N 1 0 535.773 5.781 50 0 KKAARO CC[C@@H](O)C[N@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842609 554081355 /nfs/dbraw/zinc/08/13/55/554081355.db2.gz MJACKRSEKSYCSY-HHHXNRCGSA-N 1 0 507.719 5.146 50 0 KKAARO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871977 554086482 /nfs/dbraw/zinc/08/64/82/554086482.db2.gz GEDCOQQPMHRGRC-IGKIAQTJSA-N 1 0 511.563 5.067 50 0 KKAARO CCn1cc([C@H](CC(=O)N[C@H](C)CCC[NH+](CC)CC)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872206 554086531 /nfs/dbraw/zinc/08/65/31/554086531.db2.gz VXQHRRFXLCMXGP-MXBOTTGLSA-N 1 0 525.737 7.602 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2cccc(F)c2)s1 ZINC000098019475 554112366 /nfs/dbraw/zinc/11/23/66/554112366.db2.gz AFODKPRJEUZMQP-UHFFFAOYSA-N 1 0 540.680 5.884 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(C)cc2)cc1OC ZINC000098019826 554114705 /nfs/dbraw/zinc/11/47/05/554114705.db2.gz ZKHXXNSGUCYTKG-UHFFFAOYSA-N 1 0 561.723 5.113 50 0 KKAARO C[NH+](C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000098019926 554115375 /nfs/dbraw/zinc/11/53/75/554115375.db2.gz RIZGZKPIRDUACJ-UHFFFAOYSA-N 1 0 547.168 6.312 50 0 KKAARO COc1cccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020075 554116551 /nfs/dbraw/zinc/11/65/51/554116551.db2.gz RYVXWXSFLNBXEQ-UHFFFAOYSA-N 1 0 552.546 7.213 50 0 KKAARO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000098031712 554121152 /nfs/dbraw/zinc/12/11/52/554121152.db2.gz KUSMWQBEDHDHSG-CONSDPRKSA-N 1 0 532.688 5.102 50 0 KKAARO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)c1 ZINC000098042739 554121805 /nfs/dbraw/zinc/12/18/05/554121805.db2.gz OXGOTXWZZBIMAE-UHFFFAOYSA-N 1 0 574.563 6.790 50 0 KKAARO CC[C@@H](C)Oc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000098043735 554128636 /nfs/dbraw/zinc/12/86/36/554128636.db2.gz VCPUEKWXSVHDED-OAQYLSRUSA-N 1 0 565.598 8.050 50 0 KKAARO CC[C@H](C)Oc1ccc(C[NH+]2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000098043736 554128652 /nfs/dbraw/zinc/12/86/52/554128652.db2.gz VCPUEKWXSVHDED-NRFANRHFSA-N 1 0 565.598 8.050 50 0 KKAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)o3)n2)CC1 ZINC000036029936 554142139 /nfs/dbraw/zinc/14/21/39/554142139.db2.gz GTRNTZVEQZBQRT-UHFFFAOYSA-N 1 0 507.704 5.074 50 0 KKAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCc4ccco4)cc3)n2)CC1 ZINC000036038580 554146765 /nfs/dbraw/zinc/14/67/65/554146765.db2.gz BPQWZGODPHRVJX-UHFFFAOYSA-N 1 0 513.667 5.101 50 0 KKAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccccc4)c3)n2)CC1 ZINC000036038652 554146877 /nfs/dbraw/zinc/14/68/77/554146877.db2.gz ZNDUHTLYNJGJSG-UHFFFAOYSA-N 1 0 523.706 5.508 50 0 KKAARO CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000098047181 554147623 /nfs/dbraw/zinc/14/76/23/554147623.db2.gz IEVPOPFDRONSMY-DEOSSOPVSA-N 1 0 543.458 5.240 50 0 KKAARO Cc1cc(N2CC[NH+](CCOc3cccc4ccccc43)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000098048091 554159493 /nfs/dbraw/zinc/15/94/93/554159493.db2.gz ZZAAAJNEKJCYOY-UHFFFAOYSA-N 1 0 531.582 6.078 50 0 KKAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000098048148 554159788 /nfs/dbraw/zinc/15/97/88/554159788.db2.gz ZFNNOETYDZOEEA-NDEPHWFRSA-N 1 0 541.692 5.045 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000036091457 554177642 /nfs/dbraw/zinc/17/76/42/554177642.db2.gz QRYDFPQVLUNFAK-FPOUCGFGSA-N 1 0 529.706 5.235 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036301725 554211867 /nfs/dbraw/zinc/21/18/67/554211867.db2.gz OAIDNJLZMUCPOG-MHZLTWQESA-N 1 0 504.074 6.688 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036301728 554212009 /nfs/dbraw/zinc/21/20/09/554212009.db2.gz VTDPTGBEPFXRNC-VWLOTQADSA-N 1 0 500.083 6.118 50 0 KKAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302269 554212375 /nfs/dbraw/zinc/21/23/75/554212375.db2.gz LOYLZFDKLVZFJM-NDEPHWFRSA-N 1 0 527.665 5.771 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036303576 554213689 /nfs/dbraw/zinc/21/36/89/554213689.db2.gz RISILECNKILUOF-HHHXNRCGSA-N 1 0 532.084 6.416 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305203 554214975 /nfs/dbraw/zinc/21/49/75/554214975.db2.gz HGSPAURDIGEDPN-HHHXNRCGSA-N 1 0 532.084 6.323 50 0 KKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036306625 554215790 /nfs/dbraw/zinc/21/57/90/554215790.db2.gz XBIAAOTXVYFJPU-SANMLTNESA-N 1 0 517.645 6.054 50 0 KKAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306571 554215930 /nfs/dbraw/zinc/21/59/30/554215930.db2.gz VJIVAKBLVRFKIZ-MHZLTWQESA-N 1 0 511.666 6.148 50 0 KKAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307314 554216249 /nfs/dbraw/zinc/21/62/49/554216249.db2.gz JESFAUWINSYGDE-SANMLTNESA-N 1 0 515.629 5.979 50 0 KKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036307691 554216339 /nfs/dbraw/zinc/21/63/39/554216339.db2.gz UPEMYMRXWHVOQX-RUZDIDTESA-N 1 0 503.618 5.979 50 0 KKAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036308863 554216587 /nfs/dbraw/zinc/21/65/87/554216587.db2.gz JUYMECFYFTYQJZ-WNJJXGMVSA-N 1 0 536.738 5.276 50 0 KKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000036341097 554220641 /nfs/dbraw/zinc/22/06/41/554220641.db2.gz ZVBQTKIZPAROQD-MUUNZHRXSA-N 1 0 506.477 6.626 50 0 KKAARO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344136 554222643 /nfs/dbraw/zinc/22/26/43/554222643.db2.gz BKJQKUVNNJCITO-YTTGMZPUSA-N 1 0 509.694 6.335 50 0 KKAARO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344137 554222740 /nfs/dbraw/zinc/22/27/40/554222740.db2.gz BKJQKUVNNJCITO-JGCGQSQUSA-N 1 0 509.694 6.335 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139258 554259913 /nfs/dbraw/zinc/25/99/13/554259913.db2.gz MEEIABGKRQRIOA-XMMPIXPASA-N 1 0 549.760 5.598 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(cccc2C)s1 ZINC000038144542 554266089 /nfs/dbraw/zinc/26/60/89/554266089.db2.gz ZIVNXOZWFYRNTL-UHFFFAOYSA-N 1 0 542.771 5.547 50 0 KKAARO CN1c2c(ccc3ccccc23)C(C)(C)/C1=C/C=C/C1=C/C(=C/C=C/C2=[N+](C)c3c(ccc4ccccc34)C2(C)C)CC(C)(C)C1 ZINC000100266660 554267173 /nfs/dbraw/zinc/26/71/73/554267173.db2.gz FULGUIUHNRVBGY-UHFFFAOYSA-N 1 0 603.874 11.096 50 0 KKAARO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1 ZINC000043204146 554298185 /nfs/dbraw/zinc/29/81/85/554298185.db2.gz HAYYBYPASCDWEQ-UHFFFAOYSA-N 1 0 560.649 5.027 50 0 investigational KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccccc1 ZINC000043883925 554300262 /nfs/dbraw/zinc/30/02/62/554300262.db2.gz REMYYYICRNOILH-NTGKZJMKSA-N 1 0 507.675 5.218 50 0 KKAARO O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000053536645 554348807 /nfs/dbraw/zinc/34/88/07/554348807.db2.gz QIIBCYDEITXDSI-UHFFFAOYSA-N 1 0 530.072 5.222 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000057223020 554353176 /nfs/dbraw/zinc/35/31/76/554353176.db2.gz ZECGYJNKKBZHHN-UHFFFAOYSA-N 1 0 501.627 5.225 50 0 KKAARO CCN1c2ccccc2S/C1=C\C=C1\CCC(/C=C\c2sc3ccccc3[n+]2CC)=C1c1ccccc1 ZINC000059435982 554395815 /nfs/dbraw/zinc/39/58/15/554395815.db2.gz VJQXJESRYUVFKM-UHFFFAOYSA-N 1 0 519.759 8.870 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785527 554430303 /nfs/dbraw/zinc/43/03/03/554430303.db2.gz QYQDPBFSISDNBS-GHQHKEJXSA-N 1 0 527.624 5.417 50 0 KKAARO CCCOc1ccc(N2C(=O)C[C@H](N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100799957 554474530 /nfs/dbraw/zinc/47/45/30/554474530.db2.gz ZTAMFMMZHULSBR-YTMVLYRLSA-N 1 0 518.057 5.168 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH+]3CCCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000100843935 554490598 /nfs/dbraw/zinc/49/05/98/554490598.db2.gz FIEDSXNMYITJIU-HXUWFJFHSA-N 1 0 575.569 6.026 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cccc2OC)s1 ZINC000060209912 554503737 /nfs/dbraw/zinc/50/37/37/554503737.db2.gz HGAPRCPNPAFBOZ-UHFFFAOYSA-N 1 0 578.760 5.435 50 0 KKAARO COc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2c1 ZINC000060231323 554504510 /nfs/dbraw/zinc/50/45/10/554504510.db2.gz PKOWDJFCBALTAK-UHFFFAOYSA-N 1 0 564.733 5.045 50 0 KKAARO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCC[NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000060291790 554505163 /nfs/dbraw/zinc/50/51/63/554505163.db2.gz HIHOWBSBBDRPDW-PTHRTHQKSA-N 1 0 500.812 7.684 50 0 KKAARO COc1ccc([C@H]2CC(=O)[C@H]([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927460 554524645 /nfs/dbraw/zinc/52/46/45/554524645.db2.gz ZQUBRKJSKNTGGQ-YFJHUXEUSA-N 1 0 528.958 5.675 50 0 KKAARO COc1ccc2cc3cc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)sc3nc2c1Cl ZINC000065330825 554526256 /nfs/dbraw/zinc/52/62/56/554526256.db2.gz ORHWDYXPEIBQDE-UHFFFAOYSA-N 1 0 514.478 6.407 50 0 KKAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000100933299 554528256 /nfs/dbraw/zinc/52/82/56/554528256.db2.gz GMWZZNOUXZYZLQ-UHFFFAOYSA-N 1 0 549.162 5.501 50 0 KKAARO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH2+]CCc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000100948525 554536761 /nfs/dbraw/zinc/53/67/61/554536761.db2.gz ZBGQGWFREMQLLS-FQEVSTJZSA-N 1 0 568.581 6.685 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000100951630 554537549 /nfs/dbraw/zinc/53/75/49/554537549.db2.gz ZJZDVLOZDBWHTP-PFYDVMEUSA-N 1 0 533.697 6.816 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997810 554538186 /nfs/dbraw/zinc/53/81/86/554538186.db2.gz GGRFXCGOSHLLEF-CLJLJLNGSA-N 1 0 670.468 7.556 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000068244037 554538485 /nfs/dbraw/zinc/53/84/85/554538485.db2.gz KIKRPEVNWZHOBB-AVLPFNLUSA-N 1 0 615.843 7.668 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100961402 554542537 /nfs/dbraw/zinc/54/25/37/554542537.db2.gz GZGMAAUUJSUVNV-RZMWZYTASA-N 1 0 537.685 6.454 50 0 KKAARO CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000101026565 554563826 /nfs/dbraw/zinc/56/38/26/554563826.db2.gz GGFPNMXUABVSGH-UOWMXVQPSA-N 1 0 538.647 6.621 50 0 KKAARO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c1)c1cc(Br)ccc1O2 ZINC000101092279 554583102 /nfs/dbraw/zinc/58/31/02/554583102.db2.gz UKBQJHDNQFBSAX-VAVYLYDRSA-N 1 0 561.480 5.177 50 0 KKAARO CCOc1cc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc(OCC)c1OCC ZINC000101193445 554671306 /nfs/dbraw/zinc/67/13/06/554671306.db2.gz JBGLVBIUBYMUFR-UHFFFAOYSA-N 1 0 555.675 7.314 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216490 554684067 /nfs/dbraw/zinc/68/40/67/554684067.db2.gz HDSOCIBUXNNXTA-JGCGQSQUSA-N 1 0 614.812 5.770 50 0 KKAARO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216469 554684077 /nfs/dbraw/zinc/68/40/77/554684077.db2.gz DHRKLWDUGKPMEC-WJOKGBTCSA-N 1 0 628.795 5.158 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254654 554695208 /nfs/dbraw/zinc/69/52/08/554695208.db2.gz QBBSIPIANAFSFY-VWLOTQADSA-N 1 0 543.133 5.192 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254818 554695501 /nfs/dbraw/zinc/69/55/01/554695501.db2.gz RFOUODKSKGQFCU-HKBQPEDESA-N 1 0 634.246 5.668 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254733 554695553 /nfs/dbraw/zinc/69/55/53/554695553.db2.gz FPAPNKIEBNJKHE-MUUNZHRXSA-N 1 0 594.778 5.105 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000101254741 554695560 /nfs/dbraw/zinc/69/55/60/554695560.db2.gz CEQNJSRCNWUXDD-SANMLTNESA-N 1 0 557.160 5.582 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1OC ZINC000101367005 554744024 /nfs/dbraw/zinc/74/40/24/554744024.db2.gz SUJODGZTLOJDDP-GGKJBDKJSA-N 1 0 557.606 5.081 50 0 KKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372658 554744871 /nfs/dbraw/zinc/74/48/71/554744871.db2.gz LAKUZTCMDQBXCB-YCXSDEHESA-N 1 0 557.735 6.889 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372841 554745107 /nfs/dbraw/zinc/74/51/07/554745107.db2.gz FBHGKYYXHSCRCC-USUHSNIBSA-N 1 0 557.735 6.890 50 0 KKAARO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1 ZINC000101373114 554745122 /nfs/dbraw/zinc/74/51/22/554745122.db2.gz WFXMFBGZSSHYHB-CEUNXORHSA-N 1 0 577.150 5.400 50 0 KKAARO CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101373595 554745559 /nfs/dbraw/zinc/74/55/59/554745559.db2.gz VCEXOFBXYARLAR-USHMODERSA-N 1 0 565.114 5.531 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@@H+]4CCCC[C@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000101378456 554747497 /nfs/dbraw/zinc/74/74/97/554747497.db2.gz SKPOOLAPFIGVPI-WBBHLRKXSA-N 1 0 593.765 5.769 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CC[NH+](C)CC2)C1(C)C ZINC000101386102 554751025 /nfs/dbraw/zinc/75/10/25/554751025.db2.gz ABUUUEDBHBZQHV-RYCFQHDISA-N 1 0 594.800 7.256 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386125 554751229 /nfs/dbraw/zinc/75/12/29/554751229.db2.gz AZJGLKSQJNWUGV-GMCHKSTQSA-N 1 0 582.745 6.340 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)c(OC)c1 ZINC000101386140 554751235 /nfs/dbraw/zinc/75/12/35/554751235.db2.gz HGXJHCTXYDJYPU-VVFBEHOQSA-N 1 0 572.750 5.717 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386116 554751284 /nfs/dbraw/zinc/75/12/84/554751284.db2.gz BHRDUEIPRGSBCH-RYCFQHDISA-N 1 0 595.788 6.397 50 0 KKAARO COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CC[NH+](C)CC2)c(OC)c1 ZINC000101386144 554751300 /nfs/dbraw/zinc/75/13/00/554751300.db2.gz HGXJHCTXYDJYPU-OOWIMERYSA-N 1 0 572.750 5.717 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386207 554751391 /nfs/dbraw/zinc/75/13/91/554751391.db2.gz XPSUQOOIMPKGHI-DODOAAEWSA-N 1 0 610.774 6.886 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386178 554751440 /nfs/dbraw/zinc/75/14/40/554751440.db2.gz IRTMCEUDIVAEBN-HKFHRXRESA-N 1 0 606.815 6.199 50 0 KKAARO C[C@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410939 554763721 /nfs/dbraw/zinc/76/37/21/554763721.db2.gz VCYRPWJEMIMZOW-DLLPINGYSA-N 1 0 559.751 5.930 50 0 KKAARO C[C@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410933 554763723 /nfs/dbraw/zinc/76/37/23/554763723.db2.gz VCYRPWJEMIMZOW-QXNWPYRLSA-N 1 0 559.751 5.930 50 0 KKAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)NCCCC4CC[NH+](Cc5ccccc5)CC4)c(C)n3n2)c(OC)c1 ZINC000101411142 554763941 /nfs/dbraw/zinc/76/39/41/554763941.db2.gz OLSWDFSLWKULNW-UHFFFAOYSA-N 1 0 569.750 5.772 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000101416369 554765396 /nfs/dbraw/zinc/76/53/96/554765396.db2.gz QTPIRISVPQRERJ-UIXCGLKTSA-N 1 0 547.696 5.251 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000101455103 554776960 /nfs/dbraw/zinc/77/69/60/554776960.db2.gz KFFMJNKWWADMJT-LDLOPFEMSA-N 1 0 543.733 5.626 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000101455151 554776966 /nfs/dbraw/zinc/77/69/66/554776966.db2.gz SXXNDJCQUXRWOZ-FAIXQHPJSA-N 1 0 557.760 6.015 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000101456358 554777415 /nfs/dbraw/zinc/77/74/15/554777415.db2.gz WVVOBMKYNGKXPP-UHFFFAOYSA-N 1 0 596.193 6.067 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000101456878 554777589 /nfs/dbraw/zinc/77/75/89/554777589.db2.gz NIRLKUWIZYTVTP-UHFFFAOYSA-N 1 0 547.721 5.148 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101506297 554789902 /nfs/dbraw/zinc/78/99/02/554789902.db2.gz MAYDLFROFCKJHW-NHYZDEDTSA-N 1 0 587.789 7.162 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000101506264 554789932 /nfs/dbraw/zinc/78/99/32/554789932.db2.gz SAGYAGMKALXWPV-SNCSUOKWSA-N 1 0 567.799 7.368 50 0 KKAARO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc3)Oc3ccccc32)c1 ZINC000101506958 554790974 /nfs/dbraw/zinc/79/09/74/554790974.db2.gz UBHIHJMGQIFGOI-XBQJKBNESA-N 1 0 635.208 6.866 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000101506741 554791005 /nfs/dbraw/zinc/79/10/05/554791005.db2.gz IJNHMGLHNHLUHN-SRWDPJRNSA-N 1 0 539.745 6.588 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506737 554791043 /nfs/dbraw/zinc/79/10/43/554791043.db2.gz IJNHMGLHNHLUHN-JEZFPDEOSA-N 1 0 539.745 6.588 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)C2=O)c1 ZINC000101507230 554791119 /nfs/dbraw/zinc/79/11/19/554791119.db2.gz ZCJDCQMXJXBANU-GZZLJNBRSA-N 1 0 565.783 7.074 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000101507851 554791477 /nfs/dbraw/zinc/79/14/77/554791477.db2.gz QGBFDVONOCOSPV-VVFBEHOQSA-N 1 0 599.179 5.361 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)CC3)s2)cc1 ZINC000101575590 554799004 /nfs/dbraw/zinc/79/90/04/554799004.db2.gz VNADSVMZPQYPRQ-UHFFFAOYSA-N 1 0 634.895 5.013 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)s2)cc1 ZINC000101575535 554799108 /nfs/dbraw/zinc/79/91/08/554799108.db2.gz QZGNRHRLDGQVIY-UHFFFAOYSA-N 1 0 587.794 5.194 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000101614982 554805824 /nfs/dbraw/zinc/80/58/24/554805824.db2.gz JSXFFODNDGTNRL-SGQICDRISA-N 1 0 574.766 5.336 50 0 KKAARO CCc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000101630135 554811733 /nfs/dbraw/zinc/81/17/33/554811733.db2.gz QBJWSKZFWJSMCU-SWKFRHMKSA-N 1 0 558.723 5.196 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)Cc1ccccc1 ZINC000101637590 554813686 /nfs/dbraw/zinc/81/36/86/554813686.db2.gz BCQFDDBSNHZIOV-QLKFWGTOSA-N 1 0 614.211 7.089 50 0 KKAARO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000101640076 554814232 /nfs/dbraw/zinc/81/42/32/554814232.db2.gz MNXBKXCDWFHVBV-OFWBYEQRSA-N 1 0 540.733 5.042 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670792 554824129 /nfs/dbraw/zinc/82/41/29/554824129.db2.gz RPUKYEYTCDNLPT-IDCDSMMUSA-N 1 0 563.416 5.090 50 0 KKAARO CCCN(CC1CC1)C(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000101813336 554839943 /nfs/dbraw/zinc/83/99/43/554839943.db2.gz LGMFPRLQZPBIAK-XZWHSSHBSA-N 1 0 532.773 5.137 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000101863773 554844830 /nfs/dbraw/zinc/84/48/30/554844830.db2.gz UFCAFUXJXVQGOC-UHFFFAOYSA-N 1 0 551.801 5.467 50 0 KKAARO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000101871000 554845681 /nfs/dbraw/zinc/84/56/81/554845681.db2.gz UALXBJSMTZVGRQ-VIZCGCQYSA-N 1 0 536.701 6.182 50 0 KKAARO COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)c2)cc(OC)c1OC ZINC000101976011 554862824 /nfs/dbraw/zinc/86/28/24/554862824.db2.gz RUWXTUSZLBGBIT-RUZDIDTESA-N 1 0 537.638 5.189 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000102045752 554870079 /nfs/dbraw/zinc/87/00/79/554870079.db2.gz HFNMDHYRMSGQMK-FKAPRUDGSA-N 1 0 543.727 6.986 50 0 KKAARO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000102104862 554882360 /nfs/dbraw/zinc/88/23/60/554882360.db2.gz JZKPYWHSPIQFTQ-OFSOJUDTSA-N 1 0 555.748 5.041 50 0 KKAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(C(C)(C)C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129890 554884697 /nfs/dbraw/zinc/88/46/97/554884697.db2.gz OBCFVAXJSBESFI-UHFFFAOYSA-N 1 0 581.802 5.446 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102131597 554885448 /nfs/dbraw/zinc/88/54/48/554885448.db2.gz QUUWJSRTYUCXFR-UHFFFAOYSA-N 1 0 557.739 5.690 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4ccc(C)c(C)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000102130774 554885533 /nfs/dbraw/zinc/88/55/33/554885533.db2.gz UNHWOWXOWKFYOC-UHFFFAOYSA-N 1 0 628.862 6.163 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135965 554887788 /nfs/dbraw/zinc/88/77/88/554887788.db2.gz JACUDBMFMXBBPT-SQJMNOBHSA-N 1 0 559.579 5.670 50 0 KKAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102188260 554894066 /nfs/dbraw/zinc/89/40/66/554894066.db2.gz UUFWBOKRWUJEEU-UHFFFAOYSA-N 1 0 561.480 5.063 50 0 KKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102243898 554903282 /nfs/dbraw/zinc/90/32/82/554903282.db2.gz RDORWHBTXAVKIA-UHFFFAOYSA-N 1 0 523.859 5.237 50 0 KKAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000102323971 554912108 /nfs/dbraw/zinc/91/21/08/554912108.db2.gz SWTHAPKJHARKBR-WDYNHAJCSA-N 1 0 571.816 5.592 50 0 KKAARO C[C@@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102334980 554912669 /nfs/dbraw/zinc/91/26/69/554912669.db2.gz DMRLTVROGJDPFV-QHCPKHFHSA-N 1 0 594.703 6.750 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000102338806 554912924 /nfs/dbraw/zinc/91/29/24/554912924.db2.gz KSORNOQMJWVUPH-UHFFFAOYSA-N 1 0 541.138 6.419 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000102404968 554920604 /nfs/dbraw/zinc/92/06/04/554920604.db2.gz JVIVQRIFQNCGJI-UHFFFAOYSA-N 1 0 573.690 5.643 50 0 KKAARO COc1ccc(C(O)=C2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102438695 554928937 /nfs/dbraw/zinc/92/89/37/554928937.db2.gz BNKSMNUMXUZSKY-KFKPUUFDSA-N 1 0 576.052 6.086 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000102543793 554958496 /nfs/dbraw/zinc/95/84/96/554958496.db2.gz ZPIGOKISZITWOL-BHBYDHKZSA-N 1 0 579.160 5.597 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576525 554971780 /nfs/dbraw/zinc/97/17/80/554971780.db2.gz WAVLQOGKLZLFIK-LBNVMWSVSA-N 1 0 542.617 6.867 50 0 KKAARO C(=C/C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CC1)\C=C1/CCc2c1[s+]c(-c1ccccc1)cc2-c1ccccc1 ZINC000102583780 554972787 /nfs/dbraw/zinc/97/27/87/554972787.db2.gz BSDHEHQFLGNRGB-UHFFFAOYSA-N 1 0 613.871 12.539 50 0 KKAARO CCCNC(=O)c1csc(CN(CCc2ccc(OC)c(OC)c2)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000102634113 554990176 /nfs/dbraw/zinc/99/01/76/554990176.db2.gz VKIQAVDIKVKRLP-UHFFFAOYSA-N 1 0 559.732 6.124 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000102661965 555000690 /nfs/dbraw/zinc/00/06/90/555000690.db2.gz UBYXKEZTSVAMML-JGCGQSQUSA-N 1 0 599.816 6.124 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102661991 555001030 /nfs/dbraw/zinc/00/10/30/555001030.db2.gz BMCBCCFWKZJUHQ-HKBQPEDESA-N 1 0 620.234 6.469 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663609 555001110 /nfs/dbraw/zinc/00/11/10/555001110.db2.gz FPEDYRLYOQPEPJ-ZEQKJWHPSA-N 1 0 544.589 6.325 50 0 KKAARO Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3)Oc3ccccc32)cc1 ZINC000102770840 555058310 /nfs/dbraw/zinc/05/83/10/555058310.db2.gz JWYICRKADZYSCA-KVQDIILNSA-N 1 0 604.726 6.043 50 0 KKAARO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773179 555061855 /nfs/dbraw/zinc/06/18/55/555061855.db2.gz NMKQMWBVFHUUAV-KCWXNJEJSA-N 1 0 599.147 5.590 50 0 KKAARO C[N@H+](CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102773655 555062248 /nfs/dbraw/zinc/06/22/48/555062248.db2.gz FKKRLYFJKGSNQW-YQYKVWLJSA-N 1 0 552.074 6.169 50 0 KKAARO CCOc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1OCC ZINC000102774342 555062380 /nfs/dbraw/zinc/06/23/80/555062380.db2.gz DMCBETQBGACMEV-UHFFFAOYSA-N 1 0 570.528 5.781 50 0 KKAARO COc1ccc([C@H](C)[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000102791406 555069041 /nfs/dbraw/zinc/06/90/41/555069041.db2.gz BGILIDOZSPNEAV-SFLNSBMESA-N 1 0 577.737 6.108 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839131 555080484 /nfs/dbraw/zinc/08/04/84/555080484.db2.gz LAKSICSFVMZEAB-SANMLTNESA-N 1 0 528.505 5.377 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000102839741 555080973 /nfs/dbraw/zinc/08/09/73/555080973.db2.gz NCCWRBRPJTZFTM-UHFFFAOYSA-N 1 0 541.658 5.503 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850426 555085517 /nfs/dbraw/zinc/08/55/17/555085517.db2.gz ZERHFJYIGHLKRB-HXUWFJFHSA-N 1 0 556.524 5.665 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1Br ZINC000102850916 555085780 /nfs/dbraw/zinc/08/57/80/555085780.db2.gz DTRRFKPVIYHFBG-FQEVSTJZSA-N 1 0 556.524 5.665 50 0 KKAARO Ic1ccc(N=[P@@](c2ccccc2)([C@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000102945694 555171666 /nfs/dbraw/zinc/17/16/66/555171666.db2.gz HPCVIMORDGQJLI-OOOSNSGVSA-N 1 0 577.447 5.465 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000103024401 555214818 /nfs/dbraw/zinc/21/48/18/555214818.db2.gz KUUQEENAVOKMLQ-UHFFFAOYSA-N 1 0 546.518 6.208 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103040002 555224615 /nfs/dbraw/zinc/22/46/15/555224615.db2.gz FWZPRJIMSLCVPB-MYUZEXMDSA-N 1 0 575.537 6.296 50 0 KKAARO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103061237 555242314 /nfs/dbraw/zinc/24/23/14/555242314.db2.gz CRAAZTDUHIJFSQ-QNLPTKCRSA-N 1 0 561.767 6.331 50 0 KKAARO COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103089595 555268516 /nfs/dbraw/zinc/26/85/16/555268516.db2.gz CFQOEZYXNPMYCT-MUUNZHRXSA-N 1 0 596.178 5.110 50 0 KKAARO C[NH+](C)CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(Cl)c2)C1 ZINC000103124902 555292949 /nfs/dbraw/zinc/29/29/49/555292949.db2.gz WYNMNRLSNXNRJH-YKKMPQLRSA-N 1 0 585.063 5.191 50 0 KKAARO C[NH+](C)CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(Cl)c2)C1 ZINC000103124898 555292966 /nfs/dbraw/zinc/29/29/66/555292966.db2.gz WYNMNRLSNXNRJH-HLPJKERBSA-N 1 0 585.063 5.191 50 0 KKAARO COc1ccc(OC)c(C[N@@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000103128571 555296740 /nfs/dbraw/zinc/29/67/40/555296740.db2.gz NETFNKWQRSJUHE-UHFFFAOYSA-N 1 0 562.718 5.753 50 0 KKAARO COc1cc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)ccc1OC(=O)c1cccc(Br)c1 ZINC000103129874 555298463 /nfs/dbraw/zinc/29/84/63/555298463.db2.gz VECKYGCTJXVHKN-UHFFFAOYSA-N 1 0 599.323 7.499 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103167448 555323501 /nfs/dbraw/zinc/32/35/01/555323501.db2.gz KMBSGQASVNVNGI-IPBJYNAHSA-N 1 0 547.740 5.941 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)OCc4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190352 555333363 /nfs/dbraw/zinc/33/33/63/555333363.db2.gz QVRWSQYDIQXACY-SVEHJYQDSA-N 1 0 553.625 5.888 50 0 KKAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc4nn(-c5ccc(Cl)c(Cl)c5)c(N)c4c(-c4ccccc4F)n3)CC2)cc1 ZINC000103210020 555339599 /nfs/dbraw/zinc/33/95/99/555339599.db2.gz ACCXVWKIBDXAOE-UHFFFAOYSA-N 1 0 604.561 7.130 50 0 KKAARO Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103371409 555367032 /nfs/dbraw/zinc/36/70/32/555367032.db2.gz UTALXVGLSLOJFH-MUUNZHRXSA-N 1 0 580.179 5.410 50 0 KKAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccc(Cl)cc1)nn2-c1ccc(C)cc1 ZINC000103371276 555367042 /nfs/dbraw/zinc/36/70/42/555367042.db2.gz JIXDRDSFOAJRDK-HKBQPEDESA-N 1 0 604.176 5.357 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000103405495 555391744 /nfs/dbraw/zinc/39/17/44/555391744.db2.gz CSTFUZXEARCNQU-XCZPVHLTSA-N 1 0 549.900 5.759 50 0 KKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1 ZINC000103419523 555399950 /nfs/dbraw/zinc/39/99/50/555399950.db2.gz JJXBSRAAXNVJDB-XIFFEERXSA-N 1 0 587.764 7.011 50 0 KKAARO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103421073 555401726 /nfs/dbraw/zinc/40/17/26/555401726.db2.gz XNZPHEWWAYWEOK-DHUJRADRSA-N 1 0 587.764 7.011 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000103432109 555413756 /nfs/dbraw/zinc/41/37/56/555413756.db2.gz VRKGHHXTZVYTCU-UHFFFAOYSA-N 1 0 587.233 7.237 50 0 KKAARO Cc1c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1 ZINC000059700183 562702114 /nfs/dbraw/zinc/70/21/14/562702114.db2.gz PRXZOPNJRFEGRH-UHFFFAOYSA-N 1 0 519.571 5.583 50 0 KKAARO C[NH+](C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc54)n3)c2)cc1 ZINC000149984972 562842799 /nfs/dbraw/zinc/84/27/99/562842799.db2.gz OBJNFLYHUXWUPF-IZZDOVSWSA-N 1 0 566.065 6.331 50 0 in-vitro KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169365034 562864426 /nfs/dbraw/zinc/86/44/26/562864426.db2.gz SQKDINORIMCUSU-JDLYIZNLSA-N 1 0 533.669 5.005 50 0 KKAARO Cc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042600 571390341 /nfs/dbraw/zinc/39/03/41/571390341.db2.gz RUPCVIAPEOZQPW-WNCULLNHSA-N 1 0 516.579 6.821 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000105046920 571390364 /nfs/dbraw/zinc/39/03/64/571390364.db2.gz GDURILCLJKJVSR-SMIHKQSGSA-N 1 0 501.042 5.195 50 0 KKAARO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000105060834 571390836 /nfs/dbraw/zinc/39/08/36/571390836.db2.gz KUGOJTZHVXDPIL-RNWIMVQKSA-N 1 0 569.768 5.072 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000105062169 571390923 /nfs/dbraw/zinc/39/09/23/571390923.db2.gz YFGKOZWXRWYBSB-YKGWIAGDSA-N 1 0 583.795 5.444 50 0 KKAARO O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000106805994 571418395 /nfs/dbraw/zinc/41/83/95/571418395.db2.gz RFBREKCQAJPHJD-TVXPCSCSSA-N 1 0 537.040 6.383 50 0 KKAARO Clc1ccc2c(c1)C[C@@H](S[C@H](CC[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800585 571426632 /nfs/dbraw/zinc/42/66/32/571426632.db2.gz FRNBINOLPGJIEE-ZFEZZJPFSA-N 1 0 571.255 8.771 50 0 KKAARO CCOc1ccc2[nH]c(SCc3c(CSc4nc5cc(OCC)ccc5[nH]4)[n+](=O)c4ccccc4n3O)nc2c1 ZINC000136022534 571449164 /nfs/dbraw/zinc/44/91/64/571449164.db2.gz RDDXUIFHKFPUMB-UHFFFAOYSA-N 1 0 575.696 5.928 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000142602766 571456046 /nfs/dbraw/zinc/45/60/46/571456046.db2.gz FDWSFXRBELXTDB-VOSQCMCKSA-N 1 0 625.608 5.320 50 0 KKAARO CCCC[C@@H]1Oc2ccccc2[C@H]1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000150339758 571457663 /nfs/dbraw/zinc/45/76/63/571457663.db2.gz YOBBAFJNSYRSGE-XZOQPEGZSA-N 1 0 647.335 6.534 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000150346461 571460502 /nfs/dbraw/zinc/46/05/02/571460502.db2.gz CEERNENOLDVHOO-MUUNZHRXSA-N 1 0 669.770 5.086 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000150346646 571460569 /nfs/dbraw/zinc/46/05/69/571460569.db2.gz HKBHXZSLPKDQER-QEUWPVIXSA-N 1 0 688.879 8.203 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150346635 571460633 /nfs/dbraw/zinc/46/06/33/571460633.db2.gz AZLDHAXKHQJGGK-CYEXUTLASA-N 1 0 673.824 7.823 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000150346639 571460637 /nfs/dbraw/zinc/46/06/37/571460637.db2.gz XBNVUWBMHHIFIC-BVGRYSDNSA-N 1 0 690.807 7.774 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000150389080 571471447 /nfs/dbraw/zinc/47/14/47/571471447.db2.gz GOSNNBXZOREKSP-UHFFFAOYSA-N 1 0 671.709 8.396 50 0 KKAARO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389243 571471625 /nfs/dbraw/zinc/47/16/25/571471625.db2.gz SWDGZSIFJNOIAX-QGOAFFKASA-N 1 0 691.831 10.560 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389232 571471643 /nfs/dbraw/zinc/47/16/43/571471643.db2.gz NIYHSLWTUQKPHU-KGENOOAVSA-N 1 0 677.804 10.413 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150396506 571476533 /nfs/dbraw/zinc/47/65/33/571476533.db2.gz KJHCZVNSRWMCSC-WJOKGBTCSA-N 1 0 668.691 6.321 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150414236 571484898 /nfs/dbraw/zinc/48/48/98/571484898.db2.gz YGZMRESDSFEGSK-MGBGTMOVSA-N 1 0 671.864 5.191 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150418514 571486621 /nfs/dbraw/zinc/48/66/21/571486621.db2.gz QFCNUNRGCJXESN-JGCGQSQUSA-N 1 0 645.895 5.736 50 0 KKAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418947 571486739 /nfs/dbraw/zinc/48/67/39/571486739.db2.gz XBCIQXZFQISVMN-MUUNZHRXSA-N 1 0 640.181 5.040 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000150435689 571495739 /nfs/dbraw/zinc/49/57/39/571495739.db2.gz LRGYBFLJIOVOAW-CQMORRCISA-N 1 0 724.327 6.654 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000150596592 571522336 /nfs/dbraw/zinc/52/23/36/571522336.db2.gz XBNVUWBMHHIFIC-YTWZBVJHSA-N 1 0 690.807 7.774 50 0 KKAARO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677358 571555023 /nfs/dbraw/zinc/55/50/23/571555023.db2.gz WRQAGDADNSFIDQ-GTYOFVGBSA-N 1 0 563.739 5.777 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169679940 571556713 /nfs/dbraw/zinc/55/67/13/571556713.db2.gz QJCSLMJOOZUZDU-GGXMVOPNSA-N 1 0 526.618 7.167 50 0 KKAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680302 571556751 /nfs/dbraw/zinc/55/67/51/571556751.db2.gz QIMXNGXATPZSKZ-WMZHIEFXSA-N 1 0 502.055 5.633 50 0 KKAARO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680838 571556951 /nfs/dbraw/zinc/55/69/51/571556951.db2.gz FCXWUYCGGPJHNB-SMSORMJASA-N 1 0 548.728 6.113 50 0 KKAARO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169681617 571557415 /nfs/dbraw/zinc/55/74/15/571557415.db2.gz PQDBPBCIWVBSMH-MUAVYFROSA-N 1 0 501.696 5.076 50 0 KKAARO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681813 571557645 /nfs/dbraw/zinc/55/76/45/571557645.db2.gz PCRSEICAIJDUFM-AHWVRZQESA-N 1 0 515.526 5.163 50 0 KKAARO COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1=O ZINC000169793364 571560523 /nfs/dbraw/zinc/56/05/23/571560523.db2.gz ZFVJONGWMAEUMW-ULIDOWHDSA-N 1 0 552.760 5.080 50 0 KKAARO O=C1c2ccccc2[C@H]([C@@H]2[NH2+]C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000195529726 571563463 /nfs/dbraw/zinc/56/34/63/571563463.db2.gz DQPCOOIKAATCSW-GSEMILKTSA-N 1 0 562.025 6.297 50 0 KKAARO CCC(CC)c1cccc(C(CC)CC)c1-n1cc[n+](-c2c(C(CC)CC)cccc2C(CC)CC)c1 ZINC000218892838 571603784 /nfs/dbraw/zinc/60/37/84/571603784.db2.gz XMIPECBSYYTXSK-UHFFFAOYSA-N 1 0 501.823 10.368 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000225074201 571644442 /nfs/dbraw/zinc/64/44/42/571644442.db2.gz XUOSCCOZUPEBSV-CUBQBAPOSA-N 1 0 528.590 6.620 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000225380478 571747836 /nfs/dbraw/zinc/74/78/36/571747836.db2.gz QAXXBALSFDMBLS-UHASXDTDSA-N 1 0 605.607 5.044 50 0 biogenic KKAARO CCC[NH+](CCC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000225401785 571771259 /nfs/dbraw/zinc/77/12/59/571771259.db2.gz VDXHCKMKWHECCU-PAFPPNBASA-N 1 0 614.787 5.139 50 0 biogenic KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1CCc1ccccc1 ZINC000263584816 572115379 /nfs/dbraw/zinc/11/53/79/572115379.db2.gz BEHKNSZTIDZYDI-LOSJGSFVSA-N 1 0 506.716 5.072 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077498 572182867 /nfs/dbraw/zinc/18/28/67/572182867.db2.gz DXMUYWPFNJFQFJ-IHLOFXLRSA-N 1 0 529.750 6.388 50 0 KKAARO COc1cc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)ccc1O ZINC000230156069 572184453 /nfs/dbraw/zinc/18/44/53/572184453.db2.gz FPEDYRLYOQPEPJ-BVAGGSTKSA-N 1 0 544.589 6.325 50 0 KKAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000245289665 572226317 /nfs/dbraw/zinc/22/63/17/572226317.db2.gz DIFHZIUDXDUUFQ-SHQCIBLASA-N 1 0 507.675 5.137 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245327556 572234148 /nfs/dbraw/zinc/23/41/48/572234148.db2.gz KMBSGQASVNVNGI-SLGOVJDISA-N 1 0 547.740 5.941 50 0 KKAARO CCCCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328802 572235150 /nfs/dbraw/zinc/23/51/50/572235150.db2.gz PSLGIHCJIOLPNM-XNMGPUDCSA-N 1 0 507.675 5.386 50 0 KKAARO Cc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343071 572237165 /nfs/dbraw/zinc/23/71/65/572237165.db2.gz DJLWVDRRJGUMIB-LTXBTDFWSA-N 1 0 521.060 6.619 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)CN(C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343559 572238981 /nfs/dbraw/zinc/23/89/81/572238981.db2.gz RWCHXWGSPHPFOK-HHKOPIGSSA-N 1 0 504.630 6.175 50 0 KKAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459642 572242147 /nfs/dbraw/zinc/24/21/47/572242147.db2.gz AKGNESKOKPLXHH-NRFANRHFSA-N 1 0 503.444 5.316 50 0 KKAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459652 572242156 /nfs/dbraw/zinc/24/21/56/572242156.db2.gz AKGNESKOKPLXHH-OAQYLSRUSA-N 1 0 503.444 5.316 50 0 KKAARO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247488993 572242434 /nfs/dbraw/zinc/24/24/34/572242434.db2.gz LSHYSZGKDSNJPX-HSZRJFAPSA-N 1 0 521.492 5.962 50 0 KKAARO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247521712 572242779 /nfs/dbraw/zinc/24/27/79/572242779.db2.gz XTUSRJUTTTZKFL-QGZVFWFLSA-N 1 0 541.852 6.431 50 0 KKAARO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520212 572242873 /nfs/dbraw/zinc/24/28/73/572242873.db2.gz XDXKPCHNAYDVIP-KRWDZBQOSA-N 1 0 541.852 6.431 50 0 KKAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526614 572242891 /nfs/dbraw/zinc/24/28/91/572242891.db2.gz ZKUYSKBEBNXWOD-NRFANRHFSA-N 1 0 503.444 5.316 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000247819574 572245531 /nfs/dbraw/zinc/24/55/31/572245531.db2.gz COWVBSTZYBBWJT-XKEBTDTJSA-N 1 0 586.644 5.694 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000247819572 572245729 /nfs/dbraw/zinc/24/57/29/572245729.db2.gz COWVBSTZYBBWJT-URURZURFSA-N 1 0 586.644 5.694 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851198 572246387 /nfs/dbraw/zinc/24/63/87/572246387.db2.gz IUMSIEOZJKZUJC-JOCHJYFZSA-N 1 0 626.521 6.368 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860888 572246838 /nfs/dbraw/zinc/24/68/38/572246838.db2.gz GDKDCEAUVKOTPW-VWLOTQADSA-N 1 0 525.672 5.342 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871733 572247081 /nfs/dbraw/zinc/24/70/81/572247081.db2.gz QYKGWKIXURMSDN-NRFANRHFSA-N 1 0 627.414 6.656 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880064 572247868 /nfs/dbraw/zinc/24/78/68/572247868.db2.gz IVNMSAAPOHKQCN-XMMPIXPASA-N 1 0 592.571 5.961 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910069 572249165 /nfs/dbraw/zinc/24/91/65/572249165.db2.gz UERBSOCHHLJTAY-NDEPHWFRSA-N 1 0 551.735 5.271 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955201 572250562 /nfs/dbraw/zinc/25/05/62/572250562.db2.gz VEFWKOOXXOMUFV-NRFANRHFSA-N 1 0 594.518 5.668 50 0 KKAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989279 572251414 /nfs/dbraw/zinc/25/14/14/572251414.db2.gz LULIRUGBZXRONU-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991704 572251668 /nfs/dbraw/zinc/25/16/68/572251668.db2.gz KORTZXONCHZICR-OAQYLSRUSA-N 1 0 542.511 5.121 50 0 KKAARO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084249 572253212 /nfs/dbraw/zinc/25/32/12/572253212.db2.gz KJVJFTYMPTXSBF-FYBSXPHGSA-N 1 0 515.723 5.259 50 0 KKAARO Cc1cccc(NC(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1C ZINC000248079199 572253234 /nfs/dbraw/zinc/25/32/34/572253234.db2.gz IJGCZUGKYLAETH-UHFFFAOYSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099154 572253521 /nfs/dbraw/zinc/25/35/21/572253521.db2.gz JCJIPFFRMYUZOL-SANMLTNESA-N 1 0 542.127 5.607 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248109661 572253678 /nfs/dbraw/zinc/25/36/78/572253678.db2.gz RVLBJJXCIDMPPN-SUYBVONHSA-N 1 0 502.649 6.964 50 0 KKAARO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117846 572254124 /nfs/dbraw/zinc/25/41/24/572254124.db2.gz CAWYTZWQSARKTQ-QHCPKHFHSA-N 1 0 588.550 5.357 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000248126341 572254427 /nfs/dbraw/zinc/25/44/27/572254427.db2.gz VARBROKZCAHOAP-UHSQPCAPSA-N 1 0 526.618 7.167 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124670 572254502 /nfs/dbraw/zinc/25/45/02/572254502.db2.gz HBNCXBWIWBXCLK-HSZRJFAPSA-N 1 0 588.550 5.357 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149078 572255586 /nfs/dbraw/zinc/25/55/86/572255586.db2.gz IZDXSWVXMTVZCC-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152944 572255736 /nfs/dbraw/zinc/25/57/36/572255736.db2.gz KNFYZLOWBBUDMA-RUZDIDTESA-N 1 0 525.672 5.342 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209121 572256624 /nfs/dbraw/zinc/25/66/24/572256624.db2.gz CKYFFCMWEQOLFE-IGKIAQTJSA-N 1 0 530.581 6.998 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245040 572256982 /nfs/dbraw/zinc/25/69/82/572256982.db2.gz QBHQFXCSRWJHIQ-IGKIAQTJSA-N 1 0 513.579 6.254 50 0 KKAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262282 572257475 /nfs/dbraw/zinc/25/74/75/572257475.db2.gz RCSJLSWMZMUQPD-UNMCSNQZSA-N 1 0 517.471 5.877 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[C@H]([NH+]5CCCCC5)C[C@H]43)C2=O)cc1 ZINC000248266797 572257611 /nfs/dbraw/zinc/25/76/11/572257611.db2.gz FHGMGORRSXHTRZ-XXJPWZBZSA-N 1 0 579.539 5.414 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248271391 572257638 /nfs/dbraw/zinc/25/76/38/572257638.db2.gz ZPDPGUJIQJJTSK-OZXSUGGESA-N 1 0 500.630 6.781 50 0 KKAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274430 572257767 /nfs/dbraw/zinc/25/77/67/572257767.db2.gz XQGNBFUTMDLDSY-IRLDBZIGSA-N 1 0 517.471 5.877 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288233 572257824 /nfs/dbraw/zinc/25/78/24/572257824.db2.gz HMYBVOZWVICHGA-QCENPCRXSA-N 1 0 587.518 5.282 50 0 KKAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248332826 572258204 /nfs/dbraw/zinc/25/82/04/572258204.db2.gz JLEJNNHBBFNPSP-XCQPVXNCSA-N 1 0 556.460 5.081 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000251921264 572259538 /nfs/dbraw/zinc/25/95/38/572259538.db2.gz ASKZBLJJRVZGOF-HHHXNRCGSA-N 1 0 556.154 5.861 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975197 572259695 /nfs/dbraw/zinc/25/96/95/572259695.db2.gz DEDUOBRMIYYFDG-NDEPHWFRSA-N 1 0 551.735 5.216 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014929 572259860 /nfs/dbraw/zinc/25/98/60/572259860.db2.gz VCHGAFODUWOKBJ-MUUNZHRXSA-N 1 0 551.735 5.216 50 0 KKAARO CCCc1ccccc1NC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000252077448 572259937 /nfs/dbraw/zinc/25/99/37/572259937.db2.gz DICIOXXWGFKPEX-UHFFFAOYSA-N 1 0 531.498 6.591 50 0 KKAARO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000252370347 572260168 /nfs/dbraw/zinc/26/01/68/572260168.db2.gz XPTUSGJIPBGRPB-RUZDIDTESA-N 1 0 600.605 6.472 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@H+](Cc3ccccc3)[C@@H]3CCCC[C@H]3O)cc21 ZINC000252427782 572260367 /nfs/dbraw/zinc/26/03/67/572260367.db2.gz FYFSRXZMCFPCDK-WDZQTAOZSA-N 1 0 570.730 5.969 50 0 KKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252441426 572261003 /nfs/dbraw/zinc/26/10/03/572261003.db2.gz UVVRCAOQNORAME-WEPQIIBJSA-N 1 0 525.862 8.816 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(CCOc3ccccc3)CC2)CC1 ZINC000252503565 572261911 /nfs/dbraw/zinc/26/19/11/572261911.db2.gz VFHPFHYQFNGXBR-UHFFFAOYSA-N 1 0 558.689 6.022 50 0 KKAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000252693619 572281503 /nfs/dbraw/zinc/28/15/03/572281503.db2.gz FGXQERORDNVKRX-QUWZXCSNSA-N 1 0 535.128 5.332 50 0 KKAARO CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373744 572282211 /nfs/dbraw/zinc/28/22/11/572282211.db2.gz JZSUNOCFUSEVEY-HQMQMYHNSA-N 1 0 560.675 6.517 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC[C@@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000253387631 572282557 /nfs/dbraw/zinc/28/25/57/572282557.db2.gz JGPPKNUAZRWESR-IRKAFYBISA-N 1 0 561.694 6.497 50 0 KKAARO Cc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=[NH+]N2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000253429895 572289350 /nfs/dbraw/zinc/28/93/50/572289350.db2.gz DLSSABDSAUDJEW-PMERELPUSA-N 1 0 518.064 7.680 50 0 KKAARO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498614 572292682 /nfs/dbraw/zinc/29/26/82/572292682.db2.gz CYIQITBIFVVIGC-YTHRSYQPSA-N 1 0 525.730 5.794 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607345 572300947 /nfs/dbraw/zinc/30/09/47/572300947.db2.gz OQJGNVHGCCEQBU-AREMUKBSSA-N 1 0 600.605 6.301 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615534 572301361 /nfs/dbraw/zinc/30/13/61/572301361.db2.gz MEQLVTFDKPLPRM-OAQYLSRUSA-N 1 0 655.424 6.291 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856435 1069820728 /nfs/dbraw/zinc/82/07/28/1069820728.db2.gz ZBIJYGKQNNZRCE-SSEXGKCCSA-N 1 0 562.758 6.788 50 0 KKAARO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936670 1069824139 /nfs/dbraw/zinc/82/41/39/1069824139.db2.gz JBLOXHQFXNLXLO-MHZLTWQESA-N 1 0 545.687 6.188 50 0 KKAARO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N(C)C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000524730080 1069829254 /nfs/dbraw/zinc/82/92/54/1069829254.db2.gz UZJIFXURCPWVRJ-LADGPHEKSA-N 1 0 524.702 5.341 50 0 KKAARO CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733070 1069836709 /nfs/dbraw/zinc/83/67/09/1069836709.db2.gz QMOCOFWAJPNQOL-KLESUSOLSA-N 1 0 562.798 7.519 50 0 KKAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102112804 1069843002 /nfs/dbraw/zinc/84/30/02/1069843002.db2.gz LVKQRJHUSOIMLF-DEOSSOPVSA-N 1 0 555.616 6.098 50 0 KKAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652885 1069851735 /nfs/dbraw/zinc/85/17/35/1069851735.db2.gz LLTGVRIILDILAJ-LEAFIULHSA-N 1 0 532.681 5.141 50 0 KKAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000102658419 1069861234 /nfs/dbraw/zinc/86/12/34/1069861234.db2.gz SJLPMFGAMSCUAP-HSZRJFAPSA-N 1 0 545.655 5.181 50 0 KKAARO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cc(F)ccc1F)N1CCN(c2ccccc2F)CC1 ZINC000102637108 1069861528 /nfs/dbraw/zinc/86/15/28/1069861528.db2.gz BQQQLFGFQZUQDV-ZBLYBZFDSA-N 1 0 551.638 5.064 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000102706220 1069864555 /nfs/dbraw/zinc/86/45/55/1069864555.db2.gz WGYULRUSXDDPDI-UHFFFAOYSA-N 1 0 550.728 5.918 50 0 KKAARO COc1cc(C)c(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc1C ZINC000023358193 1070015552 /nfs/dbraw/zinc/01/55/52/1070015552.db2.gz URHGAGOELMWFFC-XCZPVHLTSA-N 1 0 524.080 5.196 50 0 KKAARO CCN1c2cc(C)c(OC)cc2S/C1=C/C1=C(C)/C(=C/c2sc3cc(OC)c(C)cc3[n+]2CC)CC(C)(C)C1 ZINC000685944607 1070944383 /nfs/dbraw/zinc/94/43/83/1070944383.db2.gz PTIBEUPANNCVDC-UHFFFAOYSA-N 1 0 561.837 8.836 50 0 KKAARO CCCN1c2cc(O)ccc2S/C1=C\C=C(\C=C\c1sc2ccc(O)cc2[n+]1CCC)c1ccccc1 ZINC000685944652 1070945051 /nfs/dbraw/zinc/94/50/51/1070945051.db2.gz LOWLHKDVYASBST-UHFFFAOYSA-O 1 0 527.735 7.971 50 0 KKAARO CCN1c2ccccc2N(c2ccccc2)/C1=C\C=C(\C=C\c1n(-c2ccccc2)c2ccccc2[n+]1CC)CCCO ZINC000685944446 1070943862 /nfs/dbraw/zinc/94/38/62/1070943862.db2.gz MWAKZGYCBUHWSK-UHFFFAOYSA-N 1 0 567.757 8.170 50 0 KKAARO CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C1=O)C(C)(C)[NH2+]C(C)(C)C2 ZINC000103004373 1070970005 /nfs/dbraw/zinc/97/00/05/1070970005.db2.gz VRJANDXTKAAFAN-ULJHMMPZSA-N 1 0 557.716 6.341 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)CN1C/C=C/c1ccccc1)CC2 ZINC000299763517 1071048819 /nfs/dbraw/zinc/04/88/19/1071048819.db2.gz WOENTDPPVINMKR-UFMNDGIHSA-N 1 0 579.663 5.553 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C(\C=C\c1sc2cc(SC)c(OC)cc2[n+]1CC)OCCO ZINC000685944208 1071080848 /nfs/dbraw/zinc/08/08/48/1071080848.db2.gz ASJYYKDCDXEZRO-UHFFFAOYSA-N 1 0 603.877 7.049 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000199305523 1071135564 /nfs/dbraw/zinc/13/55/64/1071135564.db2.gz SGGIMIRNDIXKNN-IZZNHLLZSA-N 1 0 555.650 5.389 50 0 KKAARO O=C(NCCCn1ccnc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000199298477 1071136325 /nfs/dbraw/zinc/13/63/25/1071136325.db2.gz TWHFINAAIJIATJ-SUYBVONHSA-N 1 0 522.693 5.249 50 0 KKAARO CC(C)[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1cccn1C)C(=O)NC1CCCCC1 ZINC000575442858 1071142080 /nfs/dbraw/zinc/14/20/80/1071142080.db2.gz GTKOPWCMOMGWLI-RUHGTMQNSA-N 1 0 540.752 5.612 50 0 KKAARO CC(C)n1cc(CN2CCC[N@H+](Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179190 1071185683 /nfs/dbraw/zinc/18/56/83/1071185683.db2.gz CKUKQQNJIARHJA-HKBQPEDESA-N 1 0 509.698 5.573 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219023 1071239314 /nfs/dbraw/zinc/23/93/14/1071239314.db2.gz IACHRYYGUZIACD-VWLOTQADSA-N 1 0 500.668 5.787 50 0 KKAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)c1 ZINC000014986486 1071245972 /nfs/dbraw/zinc/24/59/72/1071245972.db2.gz CDHPBIZNWMBFGE-UHFFFAOYSA-N 1 0 514.666 6.870 50 0 KKAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N(CCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604405519 1071272511 /nfs/dbraw/zinc/27/25/11/1071272511.db2.gz PECIXVUWPYJWKS-PLBFFYOZSA-N 1 0 706.925 5.429 50 0 KKAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)CC1 ZINC000581783859 1071289541 /nfs/dbraw/zinc/28/95/41/1071289541.db2.gz IQCRANHOQOLACE-UHFFFAOYSA-N 1 0 503.647 5.011 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000200489532 1071290350 /nfs/dbraw/zinc/29/03/50/1071290350.db2.gz HUULMZMICOBDHC-UKILVPOCSA-N 1 0 595.662 6.080 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200487534 1071290447 /nfs/dbraw/zinc/29/04/47/1071290447.db2.gz UZDRPTDQRHMNOI-XZOQPEGZSA-N 1 0 537.639 5.224 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000200507471 1071290474 /nfs/dbraw/zinc/29/04/74/1071290474.db2.gz CDZYGBZDMAARKI-UKILVPOCSA-N 1 0 545.655 5.200 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200516214 1071290541 /nfs/dbraw/zinc/29/05/41/1071290541.db2.gz KYNJOIAQJNUSDH-LOSJGSFVSA-N 1 0 524.640 5.189 50 0 KKAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000200501779 1071290656 /nfs/dbraw/zinc/29/06/56/1071290656.db2.gz DANYENRHJBNSQK-LADGPHEKSA-N 1 0 572.624 5.565 50 0 KKAARO O=C(c1ccccc1)[C@H](N=Nc1ccc(Br)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000254286999 1072842963 /nfs/dbraw/zinc/84/29/63/1072842963.db2.gz DVAFBGPEUPQUNL-JGCGQSQUSA-N 1 0 564.443 7.736 50 0 KKAARO N#CC1C(=S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(I)c1 ZINC000254305576 1072846047 /nfs/dbraw/zinc/84/60/47/1072846047.db2.gz JGBVALJFVXWYQO-KLJDGLGGSA-O 1 0 562.456 5.170 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NC3CCCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014742695 1072892459 /nfs/dbraw/zinc/89/24/59/1072892459.db2.gz MANHWGIYZVYBLX-FCHUYYIVSA-N 1 0 534.619 5.689 50 0 KKAARO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(F)c3)CC2)c1)Cc1cccc2ccccc21 ZINC000014975127 1072893483 /nfs/dbraw/zinc/89/34/83/1072893483.db2.gz UPCMEFQLGCFISB-UHFFFAOYSA-N 1 0 511.641 5.448 50 0 KKAARO Cc1nc(C(=O)N2CCN(CCOc3cccc(C[N@@H+](C)Cc4cccc5ccccc54)c3)CC2)cs1 ZINC000014967429 1072893824 /nfs/dbraw/zinc/89/38/24/1072893824.db2.gz KHDBARCJMZWDHS-UHFFFAOYSA-N 1 0 514.695 5.074 50 0 KKAARO Cc1nc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000020294888 1072898194 /nfs/dbraw/zinc/89/81/94/1072898194.db2.gz KOYIZOSCXLAZSG-UHFFFAOYSA-N 1 0 520.724 5.135 50 0 KKAARO O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc2ccccc21 ZINC000001781245 551698349 /nfs/dbraw/zinc/69/83/49/551698349.db2.gz WADUASDYGFYHCL-PMERELPUSA-N 1 0 536.697 6.098 50 0 KKAARO CCC(=Cc1sc2ccc(-c3ccccc3)cc2[n+]1CC)C=C1Sc2ccc3ccccc3c2N1CC ZINC000001803780 551704077 /nfs/dbraw/zinc/70/40/77/551704077.db2.gz IPVJRSFLPMLXAA-UHFFFAOYSA-N 1 0 519.759 9.296 50 0 KKAARO Cc1cccc(N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000001808743 551705048 /nfs/dbraw/zinc/70/50/48/551705048.db2.gz CCFSAYGXFQLIAW-LJAQVGFWSA-N 1 0 500.664 5.254 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000001826021 551709971 /nfs/dbraw/zinc/70/99/71/551709971.db2.gz YNMDWUYVHVQQAK-ZMJKQRLJSA-N 1 0 554.557 7.807 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000001833399 551711963 /nfs/dbraw/zinc/71/19/63/551711963.db2.gz CJPYDAUMPBKTBW-WJOKGBTCSA-N 1 0 508.593 6.709 50 0 biogenic KKAARO O=C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002095373 551761259 /nfs/dbraw/zinc/76/12/59/551761259.db2.gz YQDSLHNSWXPUOW-ZWXJPIIXSA-N 1 0 546.715 5.350 50 0 biogenic KKAARO O=C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002157686 551780073 /nfs/dbraw/zinc/78/00/73/551780073.db2.gz QCGKJFANOUDJNU-BHDXBOSCSA-N 1 0 553.106 5.418 50 0 biogenic KKAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000002297386 552089869 /nfs/dbraw/zinc/08/98/69/552089869.db2.gz ONFWFYABKFGPGQ-WJOKGBTCSA-N 1 0 550.143 7.268 50 0 KKAARO CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000002322148 552094395 /nfs/dbraw/zinc/09/43/95/552094395.db2.gz XQHVLQZUBRMASU-BGOLNKOXSA-N 1 0 526.280 6.706 50 0 KKAARO CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002436445 552118785 /nfs/dbraw/zinc/11/87/85/552118785.db2.gz GGQIYIJKIBHKIH-HHHXNRCGSA-N 1 0 533.024 5.531 50 0 KKAARO Cc1ccccc1S(=O)(=O)N(C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000002948060 552228262 /nfs/dbraw/zinc/22/82/62/552228262.db2.gz ZWTZIIBHLDQLQX-LJAQVGFWSA-N 1 0 500.664 5.254 50 0 KKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059581 552281758 /nfs/dbraw/zinc/28/17/58/552281758.db2.gz BUKYBCLBZOCOJJ-RRAHZORUSA-N 1 0 516.041 5.522 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059595 552281820 /nfs/dbraw/zinc/28/18/20/552281820.db2.gz JXSOVLKVYPLJEC-DIBXZPPDSA-N 1 0 502.014 5.132 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)C1=O ZINC000003063244 552283874 /nfs/dbraw/zinc/28/38/74/552283874.db2.gz COSMCYBHYWTIQC-AWSUPERCSA-N 1 0 551.756 6.766 50 0 KKAARO O=C(NCCC[NH+]1CCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003064303 552284385 /nfs/dbraw/zinc/28/43/85/552284385.db2.gz ZXAGHFFUVAWFSY-VFCFBJKWSA-N 1 0 515.654 5.721 50 0 KKAARO COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@H+]2C)cc1OCc1ccccc1 ZINC000003124420 552291237 /nfs/dbraw/zinc/29/12/37/552291237.db2.gz KPLQJTFFMWUSLS-LJAQVGFWSA-N 1 0 509.646 6.634 50 0 KKAARO CCCC[NH+](CCCC)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003128840 552291962 /nfs/dbraw/zinc/29/19/62/552291962.db2.gz HEDBFINLLAVNMJ-SFHVURJKSA-N 1 0 589.210 7.345 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCCCCC1 ZINC000003128829 552291981 /nfs/dbraw/zinc/29/19/81/552291981.db2.gz RQOAWGLSQZGJIY-INIZCTEOSA-N 1 0 559.140 6.319 50 0 KKAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000003357796 552369804 /nfs/dbraw/zinc/36/98/04/552369804.db2.gz UIIXIRBNVVKQFK-UHFFFAOYSA-N 1 0 514.601 5.738 50 0 KKAARO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CC[N@H+](CC)C2 ZINC000003415097 552382598 /nfs/dbraw/zinc/38/25/98/552382598.db2.gz NLLAMQKGDGFIRS-JJIBRWJFSA-N 1 0 573.671 5.120 50 0 KKAARO COc1ccc(C(OC[C@H](O)C[N@H+](C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495904 552390634 /nfs/dbraw/zinc/39/06/34/552390634.db2.gz RGXBRPGHYPIBKJ-HSZRJFAPSA-N 1 0 530.459 5.074 50 0 KKAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc3)C2=O)cc1 ZINC000003586636 552391817 /nfs/dbraw/zinc/39/18/17/552391817.db2.gz JXLHZJOGWODNPD-SRWDPJRNSA-N 1 0 523.677 5.814 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(OC(C)C)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003646140 552401678 /nfs/dbraw/zinc/40/16/78/552401678.db2.gz NNKAGEFVABNLBA-XMHGGMMESA-N 1 0 507.634 7.305 50 0 KKAARO CCC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=c1/sc(=CC2=[N+](CC)[C@@H](c3ccccc3)[C@@H](c3ccccc3)S2)n(CC)c1=O ZINC000004558554 552467252 /nfs/dbraw/zinc/46/72/52/552467252.db2.gz SQIMUGTUWIVRPF-HYNJSZCTSA-N 1 0 679.013 8.284 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762072 552478529 /nfs/dbraw/zinc/47/85/29/552478529.db2.gz KQKAORAWBUFXCE-GDLZYMKVSA-N 1 0 606.192 5.282 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762176 552479071 /nfs/dbraw/zinc/47/90/71/552479071.db2.gz GDXPOVZWHIHCQM-MHZLTWQESA-N 1 0 614.574 5.676 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc21 ZINC000005946938 552515534 /nfs/dbraw/zinc/51/55/34/552515534.db2.gz SPVVMGWKAXMWAM-SOGBHIHOSA-N 1 0 506.909 7.265 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166813 552556869 /nfs/dbraw/zinc/55/68/69/552556869.db2.gz ZIZIEIARYJBXTK-UHFFFAOYSA-N 1 0 639.711 8.898 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166776 552556944 /nfs/dbraw/zinc/55/69/44/552556944.db2.gz CHSCAGFQHABSLM-UHFFFAOYSA-N 1 0 609.685 8.863 50 0 KKAARO COC(=O)c1ccc(C[n+]2ccc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)c4ccccc4n3)cc2)cc1 ZINC000006181091 552561297 /nfs/dbraw/zinc/56/12/97/552561297.db2.gz GMNBMXRPRDQHII-UHFFFAOYSA-O 1 0 542.537 6.295 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000008397007 552995953 /nfs/dbraw/zinc/99/59/53/552995953.db2.gz HUQZVZVBAHOFTA-MUUNZHRXSA-N 1 0 502.662 5.862 50 0 KKAARO CC[NH+](CC)CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008435203 553030159 /nfs/dbraw/zinc/03/01/59/553030159.db2.gz OAXDKXMGESZLKV-HHHXNRCGSA-N 1 0 650.415 7.130 50 0 KKAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000008439477 553035761 /nfs/dbraw/zinc/03/57/61/553035761.db2.gz ZRZZJVAOTLZBAC-ODQHTRFYSA-N 1 0 536.031 5.423 50 0 KKAARO CCOc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008443858 553048012 /nfs/dbraw/zinc/04/80/12/553048012.db2.gz YDQPJXRIFVWUOO-AWYKWWOESA-N 1 0 521.540 5.836 50 0 KKAARO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454574 553069283 /nfs/dbraw/zinc/06/92/83/553069283.db2.gz FFKCDBDXHGVPGQ-JTTALYROSA-N 1 0 626.949 6.686 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008596333 553090029 /nfs/dbraw/zinc/09/00/29/553090029.db2.gz HYTOVMVVXQBTQN-UHFFFAOYSA-N 1 0 618.798 5.685 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000008597811 553094148 /nfs/dbraw/zinc/09/41/48/553094148.db2.gz MAGIWMBDQXZCBT-XMMPIXPASA-N 1 0 563.695 5.203 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598088 553094611 /nfs/dbraw/zinc/09/46/11/553094611.db2.gz VHDBKCPLWJLJRC-HSZRJFAPSA-N 1 0 559.732 5.148 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000008614730 553102080 /nfs/dbraw/zinc/10/20/80/553102080.db2.gz OAOBYOLBDFWMTN-UHFFFAOYSA-N 1 0 507.078 5.481 50 0 KKAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000008626841 553104209 /nfs/dbraw/zinc/10/42/09/553104209.db2.gz VEPXRRGZDHCZJE-CQSZACIVSA-N 1 0 533.102 5.785 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696042 553125577 /nfs/dbraw/zinc/12/55/77/553125577.db2.gz NUWQCCWWFGRSRO-QTQRRKOQSA-N 1 0 623.817 6.943 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccco3)C[C@@H]21 ZINC000008717756 553129140 /nfs/dbraw/zinc/12/91/40/553129140.db2.gz ACIBSFXLHGYEET-QFIPXVFZSA-N 1 0 508.416 5.587 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000008717755 553129181 /nfs/dbraw/zinc/12/91/81/553129181.db2.gz ACIBSFXLHGYEET-JOCHJYFZSA-N 1 0 508.416 5.587 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000008749375 553134883 /nfs/dbraw/zinc/13/48/83/553134883.db2.gz TYYREJHFKQVTIJ-BVGRYSDNSA-N 1 0 622.810 6.755 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000008749468 553134953 /nfs/dbraw/zinc/13/49/53/553134953.db2.gz AZJGLKSQJNWUGV-AKGWNBJDSA-N 1 0 582.745 6.340 50 0 KKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000008834867 553161177 /nfs/dbraw/zinc/16/11/77/553161177.db2.gz PEKCGQWKHHVRSR-OAQYLSRUSA-N 1 0 503.824 5.486 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008911946 553184954 /nfs/dbraw/zinc/18/49/54/553184954.db2.gz WSERYLKBINZIQB-UHFFFAOYSA-N 1 0 503.647 5.127 50 0 KKAARO CCN1c2ccccc2S/C1=C/C=C/C=C/C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000009034201 553201956 /nfs/dbraw/zinc/20/19/56/553201956.db2.gz RBBJPNDDQCXWCS-UHFFFAOYSA-N 1 0 511.780 8.925 50 0 KKAARO Clc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000009272120 553231462 /nfs/dbraw/zinc/23/14/62/553231462.db2.gz UTDMRAJDKWAHBY-RUZDIDTESA-N 1 0 522.874 6.638 50 0 KKAARO CC(C)Oc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000009332033 553242897 /nfs/dbraw/zinc/24/28/97/553242897.db2.gz SCUNCYACYQJMAP-UHFFFAOYSA-N 1 0 514.673 6.996 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H]1c1cccs1 ZINC000009432864 553262669 /nfs/dbraw/zinc/26/26/69/553262669.db2.gz WCEJDJPKEQUXHF-NSOVKSMOSA-N 1 0 517.695 5.546 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009433323 553263157 /nfs/dbraw/zinc/26/31/57/553263157.db2.gz JHWNGRAWSBQZHE-FQLXRVMXSA-N 1 0 517.739 6.102 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433698 553263545 /nfs/dbraw/zinc/26/35/45/553263545.db2.gz ZMIQZIMIKPRVMV-UNUDWIFVSA-N 1 0 533.738 6.371 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433696 553263666 /nfs/dbraw/zinc/26/36/66/553263666.db2.gz DXMUYWPFNJFQFJ-XZWHSSHBSA-N 1 0 529.750 6.388 50 0 KKAARO Cc1nn2c(nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000009609868 553288166 /nfs/dbraw/zinc/28/81/66/553288166.db2.gz BWACCMZVTZKDNS-UHFFFAOYSA-N 1 0 509.698 5.325 50 0 KKAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(C[NH+]5CCCC5)cc4)c(C)n3n2)c(OC)c1 ZINC000009610060 553288170 /nfs/dbraw/zinc/28/81/70/553288170.db2.gz KCXFVGQNRHEWTR-UHFFFAOYSA-N 1 0 513.642 5.197 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000009693927 553299286 /nfs/dbraw/zinc/29/92/86/553299286.db2.gz WLSPIKDJQRSWEH-NRFANRHFSA-N 1 0 513.469 5.518 50 0 KKAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836112 553310486 /nfs/dbraw/zinc/31/04/86/553310486.db2.gz CBKPNMDLZXYGLC-LOYHVIPDSA-N 1 0 531.672 5.553 50 0 KKAARO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccsc2)C3)C1 ZINC000011813094 553343488 /nfs/dbraw/zinc/34/34/88/553343488.db2.gz NTODEFXBXUEMQA-OAQYLSRUSA-N 1 0 511.087 5.753 50 0 KKAARO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)cc1 ZINC000012141014 553352293 /nfs/dbraw/zinc/35/22/93/553352293.db2.gz HSEDPKVWJRSING-UHFFFAOYSA-N 1 0 530.760 5.322 50 0 KKAARO CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000012152084 553352816 /nfs/dbraw/zinc/35/28/16/553352816.db2.gz JBJLHJKAMZJWAN-UHFFFAOYSA-N 1 0 522.649 5.509 50 0 KKAARO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000012161393 553352908 /nfs/dbraw/zinc/35/29/08/553352908.db2.gz LXSAKYQQPNKRBO-NAKRPHOHSA-N 1 0 508.584 6.298 50 0 KKAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@@H+](C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156798 553352981 /nfs/dbraw/zinc/35/29/81/553352981.db2.gz KSUVYWWDWQLDER-GDLZYMKVSA-N 1 0 507.678 6.639 50 0 KKAARO C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191591 553353612 /nfs/dbraw/zinc/35/36/12/553353612.db2.gz NETWJYZJFALTNH-SANMLTNESA-N 1 0 535.754 5.262 50 0 KKAARO COc1cccc(NC(=O)CC[C@H]2C[N@@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012217851 553354316 /nfs/dbraw/zinc/35/43/16/553354316.db2.gz OUIPCFGSTDHGNE-WXVAWEFUSA-N 1 0 532.651 5.354 50 0 KKAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)c3csc(C)n3)cc12 ZINC000012247834 553355471 /nfs/dbraw/zinc/35/54/71/553355471.db2.gz DDDIOEXNYMRJMS-UHFFFAOYSA-N 1 0 504.656 5.196 50 0 KKAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283406 553356324 /nfs/dbraw/zinc/35/63/24/553356324.db2.gz PWEBFBBPJVDRHP-HSZRJFAPSA-N 1 0 527.694 5.126 50 0 KKAARO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012623415 553404333 /nfs/dbraw/zinc/40/43/33/553404333.db2.gz OYHGAJKOVZFOIN-UHFFFAOYSA-N 1 0 512.657 6.851 50 0 KKAARO COc1ccc(OC[C@H](O)C[NH+](CC(C)C)C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000013128597 553450042 /nfs/dbraw/zinc/45/00/42/553450042.db2.gz KQIWDZGCYSQECM-DNQXCXABSA-N 1 0 545.761 5.436 50 0 KKAARO COc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CC[NH+](Cc2ccccc2)CC1 ZINC000013583931 553475924 /nfs/dbraw/zinc/47/59/24/553475924.db2.gz MSJGVPLVRYDSQE-VWLOTQADSA-N 1 0 518.455 5.994 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013750774 553487935 /nfs/dbraw/zinc/48/79/35/553487935.db2.gz BLLRUNKKUOJOSY-HHHXNRCGSA-N 1 0 516.483 6.862 50 0 KKAARO CC1(C)CC(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC(C)(C)[NH2+]1 ZINC000014075637 553499832 /nfs/dbraw/zinc/49/98/32/553499832.db2.gz FBKGAPIWEDUFTR-UHFFFAOYSA-N 1 0 505.684 5.121 50 0 KKAARO CSc1ccc2cc(C[NH2+][C@H](c3ccccc3)c3ccc(Cl)cc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000014998680 553524623 /nfs/dbraw/zinc/52/46/23/553524623.db2.gz RPZFYAYBFCISBA-GDLZYMKVSA-N 1 0 512.078 6.699 50 0 KKAARO O=C(c1cc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305598 553531403 /nfs/dbraw/zinc/53/14/03/553531403.db2.gz OWUINTCBNUFMTE-UFHJSVPCSA-N 1 0 521.709 5.756 50 0 KKAARO Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946748 553544673 /nfs/dbraw/zinc/54/46/73/553544673.db2.gz GNCZTSGCXUIPDV-QFIPXVFZSA-N 1 0 503.712 6.231 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947279 553545139 /nfs/dbraw/zinc/54/51/39/553545139.db2.gz DLXBLMWWVMDSEW-MRXNPFEDSA-N 1 0 501.244 5.089 50 0 KKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947046 553545180 /nfs/dbraw/zinc/54/51/80/553545180.db2.gz RAEGGGVRFWEYEI-HSZRJFAPSA-N 1 0 512.031 5.825 50 0 KKAARO CS(=O)(=O)c1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016080235 553555380 /nfs/dbraw/zinc/55/53/80/553555380.db2.gz IDDPJCDOQKANML-UHFFFAOYSA-N 1 0 513.610 5.067 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000020242705 553627769 /nfs/dbraw/zinc/62/77/69/553627769.db2.gz GFPJRCCIANUZAV-KXQOOQHDSA-N 1 0 531.722 5.482 50 0 KKAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c(C)c1 ZINC000019901522 553632901 /nfs/dbraw/zinc/63/29/01/553632901.db2.gz QVSJUZROQOEMMG-JGCGQSQUSA-N 1 0 529.728 6.771 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355188 553640837 /nfs/dbraw/zinc/64/08/37/553640837.db2.gz AEWNPPTVLIFGOE-YBMXKYEKSA-N 1 0 509.650 5.566 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000020355323 553641367 /nfs/dbraw/zinc/64/13/67/553641367.db2.gz BRSRTTCMLCASBM-CUFSWWAQSA-N 1 0 537.704 6.060 50 0 KKAARO CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c23)CO1 ZINC000020358006 553642654 /nfs/dbraw/zinc/64/26/54/553642654.db2.gz NLCXRBUJZZGIOB-PMERELPUSA-N 1 0 530.763 6.566 50 0 KKAARO CCCc1nc2sc3c(ncnc3N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000020358907 553642858 /nfs/dbraw/zinc/64/28/58/553642858.db2.gz OAZBAGDLDAFCAN-UHFFFAOYSA-N 1 0 519.718 6.592 50 0 KKAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020412765 553647088 /nfs/dbraw/zinc/64/70/88/553647088.db2.gz IBCOGKCITUYAKE-YBLDIBISSA-N 1 0 519.129 6.505 50 0 biogenic KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412846 553647355 /nfs/dbraw/zinc/64/73/55/553647355.db2.gz GCGDEQDQFMMORL-GHCYLAGUSA-N 1 0 519.129 6.361 50 0 biogenic KKAARO CC1(C)Cc2nc3sc4c(ncnc4N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3cc2CO1 ZINC000020440853 553649201 /nfs/dbraw/zinc/64/92/01/553649201.db2.gz LEDLYXGSDRCSBU-UHFFFAOYSA-N 1 0 521.690 6.002 50 0 KKAARO CC(C)(C)c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020519267 553669199 /nfs/dbraw/zinc/66/91/99/553669199.db2.gz RSLGWEYELIKWRU-UHFFFAOYSA-N 1 0 501.678 6.605 50 0 KKAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000020611949 553679680 /nfs/dbraw/zinc/67/96/80/553679680.db2.gz CVOXPHSKZYIAOW-UUEOAETPSA-N 1 0 518.648 5.906 50 0 biogenic KKAARO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020682283 553688295 /nfs/dbraw/zinc/68/82/95/553688295.db2.gz PKKXNWZXEXSDAD-UHFFFAOYSA-N 1 0 507.678 6.375 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725014 553689870 /nfs/dbraw/zinc/68/98/70/553689870.db2.gz FPILTBPVAJCRMU-IBGZPJMESA-N 1 0 501.618 6.789 50 0 KKAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000020726568 553690167 /nfs/dbraw/zinc/69/01/67/553690167.db2.gz MXBVWNNGKJARKX-SWKFRHMKSA-N 1 0 525.718 5.546 50 0 KKAARO CCCC[N@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O)Cc1ccccc1 ZINC000020726523 553690333 /nfs/dbraw/zinc/69/03/33/553690333.db2.gz FFLUCMXSKBDKAL-SWKFRHMKSA-N 1 0 527.734 6.283 50 0 KKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)C1CCCCC1 ZINC000020728201 553691200 /nfs/dbraw/zinc/69/12/00/553691200.db2.gz OYJPREKRBAEMQM-BWAHOGKJSA-N 1 0 531.644 5.956 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732177 553692250 /nfs/dbraw/zinc/69/22/50/553692250.db2.gz CAOGYCMVMJKAAH-UQRQXUALSA-N 1 0 525.693 6.204 50 0 KKAARO CCc1ccccc1NC(=S)N(CCC[N@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733228 553692978 /nfs/dbraw/zinc/69/29/78/553692978.db2.gz JSRHRSNMDIPAMY-UHFFFAOYSA-N 1 0 537.217 7.606 50 0 KKAARO CN1c2ccccc2C(C)(C)/C1=C/C=C1/CCC(/C=C\C2=[N+](C)c3ccccc3C2(C)C)=C1c1ccccc1 ZINC000090557241 553695178 /nfs/dbraw/zinc/69/51/78/553695178.db2.gz XZMYJILFGBXQPE-UHFFFAOYSA-N 1 0 511.733 8.734 50 0 KKAARO CC(C)C[NH+](CCNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C)CC(C)C ZINC000020116098 553697473 /nfs/dbraw/zinc/69/74/73/553697473.db2.gz ZHNDSLOOVWFIAL-FOLBZMNXSA-N 1 0 509.779 5.639 50 0 KKAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000020864712 553700707 /nfs/dbraw/zinc/70/07/07/553700707.db2.gz ZQMYXERZGSSVKT-UHFFFAOYSA-N 1 0 526.662 5.037 50 0 KKAARO CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CC[NH2+]CC4)c(F)c3)nc21 ZINC000095930185 553715290 /nfs/dbraw/zinc/71/52/90/553715290.db2.gz DHKFOIHIUYFSOF-UHFFFAOYSA-N 1 0 513.404 5.078 50 0 in-vitro KKAARO COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000021992257 553722699 /nfs/dbraw/zinc/72/26/99/553722699.db2.gz RVGUTXYKHMDBPX-NLGDKJDOSA-N 1 0 524.661 6.009 50 0 KKAARO O=C(Nc1sc2c(c1CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCC2)c1ccc(F)cc1 ZINC000022033211 553723230 /nfs/dbraw/zinc/72/32/30/553723230.db2.gz FXAMGZTXCIPALH-UHFFFAOYSA-N 1 0 525.693 6.535 50 0 KKAARO CCOc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096278987 553735757 /nfs/dbraw/zinc/73/57/57/553735757.db2.gz VBJIQEIHUKLRJU-PMERELPUSA-N 1 0 509.694 6.131 50 0 KKAARO Cc1cc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)ccc1F ZINC000096281819 553737466 /nfs/dbraw/zinc/73/74/66/553737466.db2.gz PKVOABJESXHKBI-UHFFFAOYSA-N 1 0 514.567 6.530 50 0 KKAARO COc1cc(/C=C/CCCN2CCC[N@H+](CCC/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000022450990 553742369 /nfs/dbraw/zinc/74/23/69/553742369.db2.gz JXXCDAKRSXICGM-AOEKMSOUSA-N 1 0 568.755 6.033 50 0 in-vitro KKAARO COc1ccc(CN2CC[NH+](CCCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC ZINC000022453937 553742703 /nfs/dbraw/zinc/74/27/03/553742703.db2.gz GMNFEHDZQAODON-UHFFFAOYSA-N 1 0 544.802 6.313 50 0 KKAARO CCOC(=O)c1c2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2n(-c2ccccc2)c1C[NH+](CC)CC ZINC000096581391 553756092 /nfs/dbraw/zinc/75/60/92/553756092.db2.gz KMFKUOCZOVKFBO-UHFFFAOYSA-N 1 0 520.651 5.725 50 0 KKAARO COc1cc2nc(-c3ccccc3)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2cc1OC ZINC000096602155 553756928 /nfs/dbraw/zinc/75/69/28/553756928.db2.gz SWEJEBFOSIWINM-UHFFFAOYSA-N 1 0 516.645 6.226 50 0 KKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022924904 553767158 /nfs/dbraw/zinc/76/71/58/553767158.db2.gz RZCIBMKUWVZWQH-RUZDIDTESA-N 1 0 529.464 5.007 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000023247639 553771600 /nfs/dbraw/zinc/77/16/00/553771600.db2.gz ODPGGGTTYSGTGO-UHFFFAOYSA-N 1 0 529.567 5.111 50 0 in-man KKAARO Cc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)s1 ZINC000023310756 553772511 /nfs/dbraw/zinc/77/25/11/553772511.db2.gz HBHYSMMTNGDPDE-UHFFFAOYSA-N 1 0 519.736 5.740 50 0 KKAARO CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCC[NH+](C(C)C)C(C)C ZINC000023330357 553773322 /nfs/dbraw/zinc/77/33/22/553773322.db2.gz NYMCEMVNCJNRSR-QFIPXVFZSA-N 1 0 524.797 5.094 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000097945752 553774632 /nfs/dbraw/zinc/77/46/32/553774632.db2.gz QAROBFUWSVKTMQ-UHFFFAOYSA-N 1 0 536.072 5.635 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000097945932 553775469 /nfs/dbraw/zinc/77/54/69/553775469.db2.gz QVSUISJLEMWXJA-LZYBPNLTSA-N 1 0 688.139 9.008 50 0 KKAARO C[C@@H](CC(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)CC(C)(C)C ZINC000023429478 553775653 /nfs/dbraw/zinc/77/56/53/553775653.db2.gz UJEXKWLGBGQBFD-NRFANRHFSA-N 1 0 528.663 6.952 50 0 KKAARO Cc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(C)o5)nc5ccccc54)CC3)c3ccccc3n2)o1 ZINC000097949214 553800420 /nfs/dbraw/zinc/80/04/20/553800420.db2.gz LANNQJPZJBUOJU-UHFFFAOYSA-N 1 0 670.814 6.477 50 0 KKAARO Cc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(C)s5)nc5ccccc54)CC3)c3ccccc3n2)s1 ZINC000097949270 553800835 /nfs/dbraw/zinc/80/08/35/553800835.db2.gz FDGVNQICBOAKES-UHFFFAOYSA-N 1 0 702.950 7.414 50 0 KKAARO Cc1cccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 ZINC000097951467 553809045 /nfs/dbraw/zinc/80/90/45/553809045.db2.gz MWUGFKRUYAOPTK-UHFFFAOYSA-N 1 0 537.710 6.289 50 0 KKAARO Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029136020 553844684 /nfs/dbraw/zinc/84/46/84/553844684.db2.gz JMGXJHWTVBGOKG-UHFFFAOYSA-N 1 0 580.088 7.091 50 0 investigational KKAARO C[N@@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283287 553861246 /nfs/dbraw/zinc/86/12/46/553861246.db2.gz DOABYPDJDXYVHO-VWLOTQADSA-N 1 0 511.524 6.155 50 0 KKAARO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000097963427 553890161 /nfs/dbraw/zinc/89/01/61/553890161.db2.gz UKQJHXMMXBTSDX-UHFFFAOYSA-N 1 0 582.817 6.464 50 0 KKAARO CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1 ZINC000033354288 553929128 /nfs/dbraw/zinc/92/91/28/553929128.db2.gz XLZRLVQDDPECMS-QNGWXLTQSA-N 1 0 602.804 6.454 50 0 KKAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000033357113 553946393 /nfs/dbraw/zinc/94/63/93/553946393.db2.gz WAOOZAWAUBQAMS-MHZLTWQESA-N 1 0 628.145 5.170 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357117 553946847 /nfs/dbraw/zinc/94/68/47/553946847.db2.gz NVKURPARSUEINQ-SSEXGKCCSA-N 1 0 663.841 5.268 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429004 553959693 /nfs/dbraw/zinc/95/96/93/553959693.db2.gz DCDZBOZBYSWDEO-PXJZQJOASA-N 1 0 518.583 5.670 50 0 KKAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(c2ccccc2)(c2ccccc2)c2ccccn2)CC1 ZINC000034026260 553980375 /nfs/dbraw/zinc/98/03/75/553980375.db2.gz QUULPMRVKPDWAS-UHFFFAOYSA-N 1 0 504.674 6.403 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671767 553982513 /nfs/dbraw/zinc/98/25/13/553982513.db2.gz OMRZNGCHKCPVCX-SAIUNTKASA-N 1 0 522.664 6.756 50 0 KKAARO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671730 553982566 /nfs/dbraw/zinc/98/25/66/553982566.db2.gz NRPXGIXNMOUMOX-AJQTZOPKSA-N 1 0 505.662 6.012 50 0 KKAARO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671725 553982660 /nfs/dbraw/zinc/98/26/60/553982660.db2.gz NRPXGIXNMOUMOX-ZWXJPIIXSA-N 1 0 505.662 6.012 50 0 KKAARO O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC3)o1 ZINC000034685555 553986985 /nfs/dbraw/zinc/98/69/85/553986985.db2.gz GMHHKUHCWCWXRL-XIFFEERXSA-N 1 0 529.640 6.331 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698102 553991102 /nfs/dbraw/zinc/99/11/02/553991102.db2.gz YBQYUFAOVUFATD-CUBQBAPOSA-N 1 0 523.599 5.392 50 0 KKAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698044 553991174 /nfs/dbraw/zinc/99/11/74/553991174.db2.gz QAKRCLCIHNZNCQ-LITSAYRRSA-N 1 0 524.602 6.655 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698101 553991240 /nfs/dbraw/zinc/99/12/40/553991240.db2.gz YBQYUFAOVUFATD-YWEHKCAJSA-N 1 0 523.599 5.392 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698815 553991573 /nfs/dbraw/zinc/99/15/73/553991573.db2.gz VZINKNLPTWCSJS-VIZCGCQYSA-N 1 0 519.104 7.478 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698847 553991623 /nfs/dbraw/zinc/99/16/23/553991623.db2.gz OQDQWEHJGKJEQU-IRPSRAIASA-N 1 0 520.639 7.103 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698814 553991692 /nfs/dbraw/zinc/99/16/92/553991692.db2.gz VZINKNLPTWCSJS-PDDLMNHVSA-N 1 0 519.104 7.478 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698882 553991837 /nfs/dbraw/zinc/99/18/37/553991837.db2.gz PBHKFLMPTSNKMG-POURPWNDSA-N 1 0 534.666 7.705 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699143 553992408 /nfs/dbraw/zinc/99/24/08/553992408.db2.gz RDXPOVJIZRZKQZ-LSYYVWMOSA-N 1 0 512.591 6.919 50 0 KKAARO COc1ccc([C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699339 553992421 /nfs/dbraw/zinc/99/24/21/553992421.db2.gz NNXCOQQFPCDIQP-UFHPHHKVSA-N 1 0 514.563 6.117 50 0 KKAARO Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716783 553995765 /nfs/dbraw/zinc/99/57/65/553995765.db2.gz QOWNPVISDLPHGN-WUFINQPMSA-N 1 0 503.637 5.223 50 0 KKAARO CCCCCc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034814864 554011862 /nfs/dbraw/zinc/01/18/62/554011862.db2.gz QIFBCWHQUSHLGM-UHFFFAOYSA-N 1 0 515.746 6.108 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc(Br)c1 ZINC000034814866 554011882 /nfs/dbraw/zinc/01/18/82/554011882.db2.gz QGWZKIFIIPNHMX-UHFFFAOYSA-N 1 0 524.507 5.138 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830156 554014925 /nfs/dbraw/zinc/01/49/25/554014925.db2.gz CTPFBMUCGTVGCK-WVXBCFDCSA-N 1 0 507.744 5.424 50 0 KKAARO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830587 554016613 /nfs/dbraw/zinc/01/66/13/554016613.db2.gz QFHVEBHURJSVJE-PIKZIKFNSA-N 1 0 520.674 5.298 50 0 KKAARO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830594 554016643 /nfs/dbraw/zinc/01/66/43/554016643.db2.gz DCQJUZJAQYDLIF-LGGPFLRQSA-N 1 0 534.701 5.552 50 0 KKAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)[C@H](C)CC)cc1 ZINC000034832068 554017667 /nfs/dbraw/zinc/01/76/67/554017667.db2.gz XMKAJOFJBDZBCD-JOCHJYFZSA-N 1 0 505.682 5.465 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834928 554019293 /nfs/dbraw/zinc/01/92/93/554019293.db2.gz QREPCBSMHPZQEX-FQEVSTJZSA-N 1 0 528.528 6.070 50 0 KKAARO CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1C[N@H+](Cc1sccc1C)C(C)C ZINC000034837038 554020378 /nfs/dbraw/zinc/02/03/78/554020378.db2.gz MTMPWWRKGLUPGM-UHFFFAOYSA-N 1 0 500.156 6.011 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000034836352 554020544 /nfs/dbraw/zinc/02/05/44/554020544.db2.gz LEZDUVGEFKUCOX-UHFFFAOYSA-N 1 0 503.710 6.004 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000034889647 554023377 /nfs/dbraw/zinc/02/33/77/554023377.db2.gz WPEVDETZAWKBEV-MUUNZHRXSA-N 1 0 518.076 6.606 50 0 KKAARO CC(C)(C)c1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1 ZINC000034912381 554029383 /nfs/dbraw/zinc/02/93/83/554029383.db2.gz WQRZAFXIYFGWAG-UHFFFAOYSA-N 1 0 529.769 5.782 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000097995650 554036381 /nfs/dbraw/zinc/03/63/81/554036381.db2.gz LJSKWWDMZFORJP-UHFFFAOYSA-N 1 0 528.436 5.363 50 0 KKAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(Br)cc1)=N2 ZINC000035397189 554047810 /nfs/dbraw/zinc/04/78/10/554047810.db2.gz VBZRYSRYKOEHPR-UHFFFAOYSA-N 1 0 505.869 5.098 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[N@@H+]5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454650 554055723 /nfs/dbraw/zinc/05/57/23/554055723.db2.gz MHDRXGOVDKXBQJ-GOTSBHOMSA-N 1 0 516.686 5.282 50 0 KKAARO CCCNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000098005056 554056463 /nfs/dbraw/zinc/05/64/63/554056463.db2.gz MXSRWHPYZKTAKP-UHFFFAOYSA-N 1 0 548.082 5.696 50 0 KKAARO O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005124 554056802 /nfs/dbraw/zinc/05/68/02/554056802.db2.gz VVUUXOXRIDCWDM-UHFFFAOYSA-N 1 0 544.021 5.795 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(OC)cc1 ZINC000098009759 554070738 /nfs/dbraw/zinc/07/07/38/554070738.db2.gz YYYZYHPVXBGFJZ-DICHSLLOSA-N 1 0 555.763 6.856 50 0 KKAARO Cc1ccsc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098011275 554079258 /nfs/dbraw/zinc/07/92/58/554079258.db2.gz VFYQVXCJJOQPTA-PMERELPUSA-N 1 0 573.788 5.373 50 0 KKAARO CCn1cc([C@@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872203 554086410 /nfs/dbraw/zinc/08/64/10/554086410.db2.gz VXQHRRFXLCMXGP-HVNZXBJASA-N 1 0 525.737 7.602 50 0 KKAARO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871971 554086580 /nfs/dbraw/zinc/08/65/80/554086580.db2.gz PCRSEICAIJDUFM-AZGAKELHSA-N 1 0 515.526 5.163 50 0 KKAARO CCn1cc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872302 554086780 /nfs/dbraw/zinc/08/67/80/554086780.db2.gz JBVGZJKDSZZNLC-SSEXGKCCSA-N 1 0 525.693 5.981 50 0 KKAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098012455 554090883 /nfs/dbraw/zinc/09/08/83/554090883.db2.gz UXQZAOUPAXKGFG-JGCGQSQUSA-N 1 0 583.758 5.012 50 0 KKAARO COc1cccc(C[N@@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925677 554097924 /nfs/dbraw/zinc/09/79/24/554097924.db2.gz WYSLFWPXVFIDPU-UHFFFAOYSA-N 1 0 504.638 5.127 50 0 KKAARO C[NH+](C)CCNC(=O)c1cccc(Nc2c(Oc3ccc(Cl)cc3)cnn(-c3cccc(Cl)c3)c2=O)c1 ZINC000098015465 554099451 /nfs/dbraw/zinc/09/94/51/554099451.db2.gz UKRFVEWNBQWTSB-UHFFFAOYSA-N 1 0 538.435 5.367 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000098020114 554116778 /nfs/dbraw/zinc/11/67/78/554116778.db2.gz GMJJTOPHYFQMKU-LJAQVGFWSA-N 1 0 551.772 5.161 50 0 KKAARO CC(C)CN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Cl ZINC000098020179 554117195 /nfs/dbraw/zinc/11/71/95/554117195.db2.gz OGSSEEQGFWDKRN-UHFFFAOYSA-N 1 0 565.133 6.560 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C(F)(F)F)c2)n1 ZINC000098021420 554118721 /nfs/dbraw/zinc/11/87/21/554118721.db2.gz GLPCPFIBFKZLDV-UHFFFAOYSA-N 1 0 648.780 7.020 50 0 KKAARO COc1ccc(-c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)n2Cc2ccccc2)cc1 ZINC000098023178 554120537 /nfs/dbraw/zinc/12/05/37/554120537.db2.gz XEONIQITEBADSU-UHFFFAOYSA-N 1 0 561.755 6.503 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH+]3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000098045747 554133565 /nfs/dbraw/zinc/13/35/65/554133565.db2.gz NOSDQNXHQJWNKU-IBGZPJMESA-N 1 0 561.542 5.635 50 0 KKAARO CC(C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)c(CN(C(=O)Nc2cccc(F)c2)C2CCCCC2)c1 ZINC000036015395 554135483 /nfs/dbraw/zinc/13/54/83/554135483.db2.gz RYJBTKNHWZQDOC-UHFFFAOYSA-N 1 0 537.724 6.317 50 0 KKAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCCCC1 ZINC000098048099 554159536 /nfs/dbraw/zinc/15/95/36/554159536.db2.gz IUWGPJHCTNVHPV-QGZVFWFLSA-N 1 0 574.244 5.241 50 0 KKAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCCCC1 ZINC000098048100 554159569 /nfs/dbraw/zinc/15/95/69/554159569.db2.gz IUWGPJHCTNVHPV-KRWDZBQOSA-N 1 0 574.244 5.241 50 0 KKAARO O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048146 554159861 /nfs/dbraw/zinc/15/98/61/554159861.db2.gz FDKBURXQUBAXRF-NCRNUEESSA-N 1 0 736.960 9.304 50 0 KKAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000098048135 554159942 /nfs/dbraw/zinc/15/99/42/554159942.db2.gz ZSUJSMCCRSKRMU-QHCPKHFHSA-N 1 0 571.357 5.541 50 0 KKAARO CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)NC(C)(C)C)cc1 ZINC000036122158 554193240 /nfs/dbraw/zinc/19/32/40/554193240.db2.gz FRVTZWBQKPAKLN-AREMUKBSSA-N 1 0 540.774 5.282 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145507 554197673 /nfs/dbraw/zinc/19/76/73/554197673.db2.gz DESVDVNSWJLYTO-LJAQVGFWSA-N 1 0 513.634 5.762 50 0 KKAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146134 554198119 /nfs/dbraw/zinc/19/81/19/554198119.db2.gz LVSXRMMZNVYCJR-UIOOFZCWSA-N 1 0 516.535 5.417 50 0 KKAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146782 554198256 /nfs/dbraw/zinc/19/82/56/554198256.db2.gz UNHRXELDSPPWLW-UNMCSNQZSA-N 1 0 523.844 5.813 50 0 KKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156209 554198795 /nfs/dbraw/zinc/19/87/95/554198795.db2.gz ILWZRCBFXAAYKL-UHFFFAOYSA-N 1 0 531.649 6.010 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036167761 554200096 /nfs/dbraw/zinc/20/00/96/554200096.db2.gz CNTLUIWKTYDEDU-UHFFFAOYSA-N 1 0 501.623 5.620 50 0 KKAARO COc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)c1OC ZINC000036202342 554200735 /nfs/dbraw/zinc/20/07/35/554200735.db2.gz CUOPQLIHKIACLA-UHFFFAOYSA-N 1 0 521.604 6.517 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036303976 554213699 /nfs/dbraw/zinc/21/36/99/554213699.db2.gz QIYCJSKFJZHTPJ-XMMPIXPASA-N 1 0 501.618 5.743 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036303979 554213826 /nfs/dbraw/zinc/21/38/26/554213826.db2.gz UMDSXBYOFNWKPS-QHCPKHFHSA-N 1 0 501.618 5.885 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000036304089 554214028 /nfs/dbraw/zinc/21/40/28/554214028.db2.gz LERDNWHFGZNKJF-DEOSSOPVSA-N 1 0 507.581 5.902 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COCc1ccco1)CC1CC1 ZINC000036304891 554214849 /nfs/dbraw/zinc/21/48/49/554214849.db2.gz LDZPBEAGDKAIHN-SANMLTNESA-N 1 0 501.627 5.664 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000036304957 554214905 /nfs/dbraw/zinc/21/49/05/554214905.db2.gz AAYOBHHMPARSLG-DEOSSOPVSA-N 1 0 506.046 5.585 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COCc1ccco1)CC1CC1 ZINC000036304894 554214961 /nfs/dbraw/zinc/21/49/61/554214961.db2.gz LDZPBEAGDKAIHN-AREMUKBSSA-N 1 0 501.627 5.664 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307246 554215923 /nfs/dbraw/zinc/21/59/23/554215923.db2.gz FJVGAVQSDAUGSC-NOZRDPDXSA-N 1 0 511.638 5.176 50 0 KKAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036307687 554216360 /nfs/dbraw/zinc/21/63/60/554216360.db2.gz UPEMYMRXWHVOQX-VWLOTQADSA-N 1 0 503.618 5.979 50 0 KKAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000036312675 554218594 /nfs/dbraw/zinc/21/85/94/554218594.db2.gz OUCALOGHDADXCE-UHFFFAOYSA-N 1 0 500.565 5.555 50 0 KKAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1F ZINC000036340835 554220346 /nfs/dbraw/zinc/22/03/46/554220346.db2.gz UKKJOKZIBJUBKE-MHZLTWQESA-N 1 0 510.657 5.162 50 0 KKAARO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341151 554220629 /nfs/dbraw/zinc/22/06/29/554220629.db2.gz VKOHHUUQZKVHLP-GDLZYMKVSA-N 1 0 502.058 5.981 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341035 554220649 /nfs/dbraw/zinc/22/06/49/554220649.db2.gz WLJBSDBIAVQXDF-GDLZYMKVSA-N 1 0 532.084 5.990 50 0 KKAARO COc1ccc(OC)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341671 554220885 /nfs/dbraw/zinc/22/08/85/554220885.db2.gz WOWWEACVOBCZJG-LJAQVGFWSA-N 1 0 515.629 5.475 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343456 554221932 /nfs/dbraw/zinc/22/19/32/554221932.db2.gz IZSWXFRHOKIQKS-HKBQPEDESA-N 1 0 525.693 5.953 50 0 KKAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343849 554222352 /nfs/dbraw/zinc/22/23/52/554222352.db2.gz RXVJCOGSYHFOTE-SSEXGKCCSA-N 1 0 500.086 6.589 50 0 KKAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036346049 554223610 /nfs/dbraw/zinc/22/36/10/554223610.db2.gz JTKQUIWZTZXMBU-SANMLTNESA-N 1 0 503.618 5.902 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C)cc1 ZINC000037379004 554236163 /nfs/dbraw/zinc/23/61/63/554236163.db2.gz WXNWEJWELBDWKH-JOMNFKBKSA-N 1 0 509.738 7.147 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C)cc1 ZINC000037379014 554236396 /nfs/dbraw/zinc/23/63/96/554236396.db2.gz WXNWEJWELBDWKH-JTSJOTPCSA-N 1 0 509.738 7.147 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C3=O ZINC000037407968 554242667 /nfs/dbraw/zinc/24/26/67/554242667.db2.gz FRSNJQLLJBIKCD-LWPQGVMLSA-N 1 0 522.734 5.071 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000037524150 554250252 /nfs/dbraw/zinc/25/02/52/554250252.db2.gz WMWYVHAYEHDZTQ-WNJJXGMVSA-N 1 0 526.618 7.167 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524384 554250325 /nfs/dbraw/zinc/25/03/25/554250325.db2.gz JOXAZIBYPQVCCB-SHQCIBLASA-N 1 0 510.600 6.127 50 0 KKAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225798 554253303 /nfs/dbraw/zinc/25/33/03/554253303.db2.gz OUDOPQGDHPZRET-NAKRPHOHSA-N 1 0 548.716 5.457 50 0 KKAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2c(C)c1 ZINC000038139105 554259135 /nfs/dbraw/zinc/25/91/35/554259135.db2.gz CINVZWPFSYWSJX-UHFFFAOYSA-N 1 0 542.771 5.465 50 0 KKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc2c1C ZINC000038144529 554265939 /nfs/dbraw/zinc/26/59/39/554265939.db2.gz SNGRIGOHZDAGBN-UHFFFAOYSA-N 1 0 550.750 5.332 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C(\C=C\c1sc2cc(SC)c(OC)cc2[n+]1CC)CCCO ZINC000100265598 554266601 /nfs/dbraw/zinc/26/66/01/554266601.db2.gz DSNLGCAAHOXQHZ-UHFFFAOYSA-N 1 0 601.905 7.855 50 0 KKAARO CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(\C=C\C1=[N+](CC)c2ccc3ccccc3c2C1(C)C)CCCO ZINC000100265827 554266908 /nfs/dbraw/zinc/26/69/08/554266908.db2.gz BFPYLZNVPMPHFS-UHFFFAOYSA-N 1 0 569.813 9.346 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000038146795 554269871 /nfs/dbraw/zinc/26/98/71/554269871.db2.gz RWWNTUBZTUXPCM-UHFFFAOYSA-N 1 0 537.509 5.983 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000040163549 554282746 /nfs/dbraw/zinc/28/27/46/554282746.db2.gz IIQSJHUEZBTSAT-URLMMPGGSA-N 1 0 608.735 6.859 50 0 biogenic,in-vitro KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163547 554282767 /nfs/dbraw/zinc/28/27/67/554282767.db2.gz FUZMQNZACIFDBL-LOYHVIPDSA-N 1 0 652.788 7.171 50 0 biogenic,in-vitro KKAARO CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@H]([C@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329622 554311903 /nfs/dbraw/zinc/31/19/03/554311903.db2.gz SFFJARIKISDPGV-WPFAILKGSA-N 1 0 534.660 5.738 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCC[N@@H+](C)C4CCCCC4)ccc3S/C(=C/c3ccccc3)C2=O)c1 ZINC000049746791 554325004 /nfs/dbraw/zinc/32/50/04/554325004.db2.gz CHHWKRVQTMMFFT-NJZRLIGZSA-N 1 0 539.745 6.669 50 0 KKAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049763179 554325411 /nfs/dbraw/zinc/32/54/11/554325411.db2.gz QREJVTUHQUFUBX-JOCHJYFZSA-N 1 0 651.330 5.182 50 0 KKAARO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000053092588 554329726 /nfs/dbraw/zinc/32/97/26/554329726.db2.gz UWCMIDIOYALUAY-UHFFFAOYSA-N 1 0 519.567 5.088 50 0 KKAARO Fc1ccc(-c2csc3ncnc(N4CC[NH+](CCOC(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000054263644 554349144 /nfs/dbraw/zinc/34/91/44/554349144.db2.gz WPCPQNUJQWMJOB-UHFFFAOYSA-N 1 0 524.665 6.426 50 0 KKAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000054979039 554349781 /nfs/dbraw/zinc/34/97/81/554349781.db2.gz OPHHSIIPSNVWSV-UHFFFAOYSA-N 1 0 506.433 6.828 50 0 KKAARO CCCOc1ccc(N2C(=O)C[C@H](N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100799961 554474490 /nfs/dbraw/zinc/47/44/90/554474490.db2.gz ZTAMFMMZHULSBR-LMSSTIIKSA-N 1 0 518.057 5.168 50 0 KKAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc21 ZINC000060209963 554503791 /nfs/dbraw/zinc/50/37/91/554503791.db2.gz FDJOYSJUGSQHHS-UHFFFAOYSA-N 1 0 580.776 5.504 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210346 554504405 /nfs/dbraw/zinc/50/44/05/554504405.db2.gz SOKPJVUECCNTCR-UHFFFAOYSA-N 1 0 588.796 5.255 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000067997825 554538196 /nfs/dbraw/zinc/53/81/96/554538196.db2.gz VXASWNCNDAMJFB-IZZNHLLZSA-N 1 0 636.023 6.902 50 0 KKAARO Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccc(F)cc2)c1 ZINC000101053259 554568885 /nfs/dbraw/zinc/56/88/85/554568885.db2.gz VYNFTTFEKKDFCQ-UHFFFAOYSA-N 1 0 534.035 5.283 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101097691 554584895 /nfs/dbraw/zinc/58/48/95/554584895.db2.gz ZPOXFQYXYYPDAE-TURZUDJPSA-N 1 0 609.952 5.198 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)Oc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101097676 554584934 /nfs/dbraw/zinc/58/49/34/554584934.db2.gz ZOWGDTLBJIJFBA-SWKFRHMKSA-N 1 0 588.546 5.677 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000101193393 554671366 /nfs/dbraw/zinc/67/13/66/554671366.db2.gz BQGBEIIGSVYCJO-UHFFFAOYSA-N 1 0 543.620 6.153 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216498 554684017 /nfs/dbraw/zinc/68/40/17/554684017.db2.gz BGOHGQHZNGLBBI-MGBGTMOVSA-N 1 0 628.839 6.160 50 0 KKAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000101216494 554684057 /nfs/dbraw/zinc/68/40/57/554684057.db2.gz HDSOCIBUXNNXTA-YTTGMZPUSA-N 1 0 614.812 5.770 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c(-c4ccccc4)c(-c4ccccc4)c4ccc5ccccc5c43)CC2)cc1 ZINC000101221767 554687366 /nfs/dbraw/zinc/68/73/66/554687366.db2.gz MHSPNGWSJMTDKW-XIFFEERXSA-N 1 0 551.734 7.620 50 0 KKAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000101222486 554687599 /nfs/dbraw/zinc/68/75/99/554687599.db2.gz FXBYVFHUZBOXOY-MUUNZHRXSA-N 1 0 541.692 5.294 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254643 554695167 /nfs/dbraw/zinc/69/51/67/554695167.db2.gz JDJGHAPPLLLPNE-VWLOTQADSA-N 1 0 573.159 5.200 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254658 554695198 /nfs/dbraw/zinc/69/51/98/554695198.db2.gz CJWLMUFTQKPYQP-AREMUKBSSA-N 1 0 554.782 5.260 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254798 554695519 /nfs/dbraw/zinc/69/55/19/554695519.db2.gz QXQKUXWRKLZDRH-XIFFEERXSA-N 1 0 643.854 5.413 50 0 KKAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254861 554695778 /nfs/dbraw/zinc/69/57/78/554695778.db2.gz YXGIZWNUKSPTMN-GDLZYMKVSA-N 1 0 590.193 5.187 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260301 554697246 /nfs/dbraw/zinc/69/72/46/554697246.db2.gz RMZDPVZMBJRRKO-BJKOFHAPSA-N 1 0 544.589 6.092 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299275 554712742 /nfs/dbraw/zinc/71/27/42/554712742.db2.gz XFAQETCWONQQOS-GHMVGRGESA-N 1 0 550.942 8.388 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341549 554735592 /nfs/dbraw/zinc/73/55/92/554735592.db2.gz YFGKOZWXRWYBSB-CHJDUVSTSA-N 1 0 583.795 5.444 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341596 554735902 /nfs/dbraw/zinc/73/59/02/554735902.db2.gz ZUBFLAGZJNQECR-CLYVBNDRSA-N 1 0 596.577 5.453 50 0 KKAARO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)c1 ZINC000101373746 554745524 /nfs/dbraw/zinc/74/55/24/554745524.db2.gz IVXOKWPXTSGPRB-BRPDVVIDSA-N 1 0 544.696 5.186 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386114 554750985 /nfs/dbraw/zinc/75/09/85/554750985.db2.gz BHRDUEIPRGSBCH-ZQAZVOLISA-N 1 0 595.788 6.397 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386134 554751214 /nfs/dbraw/zinc/75/12/14/554751214.db2.gz KURRTRAUUXOBQV-CPBHLAHYSA-N 1 0 597.804 5.537 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391634 554755183 /nfs/dbraw/zinc/75/51/83/554755183.db2.gz HMYBVOZWVICHGA-GRKNLSHJSA-N 1 0 587.518 5.282 50 0 KKAARO Cc1oc(-c2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000101448543 554774961 /nfs/dbraw/zinc/77/49/61/554774961.db2.gz GPMGTBKNGMYQGX-UHFFFAOYSA-N 1 0 538.692 5.475 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000101454580 554776504 /nfs/dbraw/zinc/77/65/04/554776504.db2.gz LPYAKSMZYGXNQY-KDXMTYKHSA-N 1 0 549.712 5.785 50 0 KKAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000101454763 554776803 /nfs/dbraw/zinc/77/68/03/554776803.db2.gz YUGNCPKYZAQVAT-KXQOOQHDSA-N 1 0 533.669 5.149 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101456083 554777200 /nfs/dbraw/zinc/77/72/00/554777200.db2.gz JPDZLZRGTFPPTC-UHFFFAOYSA-N 1 0 561.748 5.620 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101506377 554790212 /nfs/dbraw/zinc/79/02/12/554790212.db2.gz VZIUJJUFRSEIFC-LAIQPPIQSA-N 1 0 567.799 7.081 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000101506680 554790651 /nfs/dbraw/zinc/79/06/51/554790651.db2.gz ZQCIKFANWMVSAX-GZZLJNBRSA-N 1 0 545.683 6.214 50 0 KKAARO O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000101590528 554802756 /nfs/dbraw/zinc/80/27/56/554802756.db2.gz AWAUYNPCVBMBEE-UHFFFAOYSA-N 1 0 548.156 5.968 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618515 554806627 /nfs/dbraw/zinc/80/66/27/554806627.db2.gz ZMIGMFWBUIHALR-IOWSJCHKSA-N 1 0 556.776 5.296 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101618197 554806668 /nfs/dbraw/zinc/80/66/68/554806668.db2.gz PKYUEYFDSJUJFQ-LOYHVIPDSA-N 1 0 560.764 5.022 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000101633884 554812434 /nfs/dbraw/zinc/81/24/34/554812434.db2.gz XVXNTMJXGGCLRE-UHFFFAOYSA-N 1 0 557.635 8.005 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101637245 554813356 /nfs/dbraw/zinc/81/33/56/554813356.db2.gz MMMDPRJEHMOAAD-CKWSZQMZSA-N 1 0 620.794 6.443 50 0 KKAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637609 554813647 /nfs/dbraw/zinc/81/36/47/554813647.db2.gz OVPCTLZELBVDEV-XSVYLIDLSA-N 1 0 606.767 6.053 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843153 554842973 /nfs/dbraw/zinc/84/29/73/554842973.db2.gz DFSIEZWLZUDNIX-XZWHSSHBSA-N 1 0 544.765 5.009 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101867909 554845413 /nfs/dbraw/zinc/84/54/13/554845413.db2.gz IACKGWGRIKGCCL-UHFFFAOYSA-N 1 0 562.155 5.359 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101979358 554863577 /nfs/dbraw/zinc/86/35/77/554863577.db2.gz YDXLFGZOYLHKAQ-CONSDPRKSA-N 1 0 541.761 6.308 50 0 KKAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000101979744 554863658 /nfs/dbraw/zinc/86/36/58/554863658.db2.gz ZNOOPHULBMEETJ-FIRIVFDPSA-N 1 0 572.775 5.309 50 0 KKAARO Cc1ccnc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(C(C)C)cc3)C2)n1 ZINC000102004642 554866713 /nfs/dbraw/zinc/86/67/13/554866713.db2.gz LNPMLLZPENJYGV-AHYUZBCLSA-N 1 0 573.851 5.613 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000102010296 554866912 /nfs/dbraw/zinc/86/69/12/554866912.db2.gz QHAOIYSCROLCPH-MFMCTBQISA-N 1 0 594.722 5.823 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000102045796 554870025 /nfs/dbraw/zinc/87/00/25/554870025.db2.gz CSLZNTHRQBMYGL-NYFMKLKXSA-N 1 0 585.789 6.864 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000102045904 554870194 /nfs/dbraw/zinc/87/01/94/554870194.db2.gz NKQIAUYQXYUDEZ-FYBSXPHGSA-N 1 0 563.708 7.857 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000102045912 554870226 /nfs/dbraw/zinc/87/02/26/554870226.db2.gz NKQIAUYQXYUDEZ-SETSBSEESA-N 1 0 563.708 7.857 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098971 554880730 /nfs/dbraw/zinc/88/07/30/554880730.db2.gz RVTLWFPADAOMIX-LBNVMWSVSA-N 1 0 562.598 7.738 50 0 KKAARO Cc1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)cc1 ZINC000102102924 554882027 /nfs/dbraw/zinc/88/20/27/554882027.db2.gz XJANMOAHSDGQBJ-UHFFFAOYSA-N 1 0 536.547 7.513 50 0 KKAARO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000102102918 554882036 /nfs/dbraw/zinc/88/20/36/554882036.db2.gz XBNVLIGZAWRFAX-UHFFFAOYSA-N 1 0 591.410 8.511 50 0 KKAARO CC(C)C[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000102117207 554882825 /nfs/dbraw/zinc/88/28/25/554882825.db2.gz PXOPTPPZQRUAMZ-ABYGYWHVSA-N 1 0 559.721 5.050 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102130393 554885237 /nfs/dbraw/zinc/88/52/37/554885237.db2.gz MAKUHROIKYRRMR-UHFFFAOYSA-N 1 0 614.835 5.854 50 0 KKAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000102244097 554903231 /nfs/dbraw/zinc/90/32/31/554903231.db2.gz BGMFXYYIBFGOOI-UHFFFAOYSA-N 1 0 529.504 5.233 50 0 KKAARO Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@@H](C)c3nccs3)CC2)c1C ZINC000102334717 554912576 /nfs/dbraw/zinc/91/25/76/554912576.db2.gz IZLXPIFRTREFSB-QHCPKHFHSA-N 1 0 546.762 6.067 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000102357564 554915749 /nfs/dbraw/zinc/91/57/49/554915749.db2.gz PYQVQURRIODVGI-MFMCTBQISA-N 1 0 594.722 5.823 50 0 KKAARO COc1ccc(C(O)=C2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102438690 554928908 /nfs/dbraw/zinc/92/89/08/554928908.db2.gz BNKSMNUMXUZSKY-AXEVPAOMSA-N 1 0 576.052 6.086 50 0 KKAARO COc1ccccc1CCNC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000102459738 554935109 /nfs/dbraw/zinc/93/51/09/554935109.db2.gz PXDHGVCFIXPMTN-QCENPCRXSA-N 1 0 593.187 5.640 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579817 554972028 /nfs/dbraw/zinc/97/20/28/554972028.db2.gz OKXMUDDQHRYMDB-KDXMTYKHSA-N 1 0 621.602 9.630 50 0 KKAARO CCCC[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579832 554972068 /nfs/dbraw/zinc/97/20/68/554972068.db2.gz YWOKLFHAWNPHQD-HUESYALOSA-N 1 0 584.787 10.131 50 0 KKAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582646 554972687 /nfs/dbraw/zinc/97/26/87/554972687.db2.gz JEQOHRDYGFOKHD-DEOSSOPVSA-N 1 0 561.748 5.316 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000102588387 554973502 /nfs/dbraw/zinc/97/35/02/554973502.db2.gz VVSYZUVJILOPAQ-CXNUKBDRSA-N 1 0 574.608 5.825 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1=O ZINC000102611975 554981732 /nfs/dbraw/zinc/98/17/32/554981732.db2.gz SQYMKXGIKMRADT-HZXYQDHXSA-N 1 0 553.772 6.773 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(Br)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679328 555005146 /nfs/dbraw/zinc/00/51/46/555005146.db2.gz BXUKCSDKIHKLPZ-AREMUKBSSA-N 1 0 600.554 5.393 50 0 KKAARO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3)CC1 ZINC000102685026 555006894 /nfs/dbraw/zinc/00/68/94/555006894.db2.gz QWPFDJGTVNNSKX-UHFFFAOYSA-N 1 0 534.125 6.503 50 0 KKAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)c3c2)CC1 ZINC000102690098 555008049 /nfs/dbraw/zinc/00/80/49/555008049.db2.gz KGRUBGQGENFVLH-UHFFFAOYSA-N 1 0 625.839 5.792 50 0 KKAARO CSc1cccc(NC(=O)CC[C@H]2C[N@@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102703028 555013294 /nfs/dbraw/zinc/01/32/94/555013294.db2.gz OUYLUQBQMQEQJK-WXVAWEFUSA-N 1 0 548.719 6.067 50 0 KKAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000102705688 555014502 /nfs/dbraw/zinc/01/45/02/555014502.db2.gz DKCIAIOYRPTCCY-MFMCTBQISA-N 1 0 526.725 5.435 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000102724239 555021109 /nfs/dbraw/zinc/02/11/09/555021109.db2.gz YJMFFIYMSMXNCC-UHFFFAOYSA-N 1 0 598.820 5.125 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2nc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)nc2c1 ZINC000102768210 555055836 /nfs/dbraw/zinc/05/58/36/555055836.db2.gz MMAROSIWVSOSSQ-UHFFFAOYSA-N 1 0 554.735 7.003 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102772762 555061729 /nfs/dbraw/zinc/06/17/29/555061729.db2.gz FXSLFJDODYRLCJ-SWKFRHMKSA-N 1 0 546.111 6.549 50 0 KKAARO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773180 555061934 /nfs/dbraw/zinc/06/19/34/555061934.db2.gz NMKQMWBVFHUUAV-ONOMSOESSA-N 1 0 599.147 5.590 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102773700 555062204 /nfs/dbraw/zinc/06/22/04/555062204.db2.gz QYQDPBFSISDNBS-FSUFCWANSA-N 1 0 527.624 5.417 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102773542 555062231 /nfs/dbraw/zinc/06/22/31/555062231.db2.gz PAJPQNKUPHTWLL-USUHSNIBSA-N 1 0 558.122 6.691 50 0 KKAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102775620 555062716 /nfs/dbraw/zinc/06/27/16/555062716.db2.gz DEXFPUZLJYSAEO-KANWNJQCSA-N 1 0 527.624 5.417 50 0 KKAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000102778306 555064370 /nfs/dbraw/zinc/06/43/70/555064370.db2.gz BNLCJXLASIINLB-IEVYWPCISA-N 1 0 532.109 6.263 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787161 555068036 /nfs/dbraw/zinc/06/80/36/555068036.db2.gz FBJSPDULSNATLP-QHCPKHFHSA-N 1 0 552.115 6.785 50 0 KKAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000102794471 555071191 /nfs/dbraw/zinc/07/11/91/555071191.db2.gz DLEFYVSGRCYCHD-SFTDATJTSA-N 1 0 542.771 5.140 50 0 KKAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000102794469 555071258 /nfs/dbraw/zinc/07/12/58/555071258.db2.gz DLEFYVSGRCYCHD-OYRHEFFESA-N 1 0 542.771 5.140 50 0 KKAARO O=c1cc(C[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C2CCCCC2)nc2scc(-c3ccccc3)n21 ZINC000102815157 555075906 /nfs/dbraw/zinc/07/59/06/555075906.db2.gz IGMCVYXUXQGGAV-UHFFFAOYSA-N 1 0 579.751 6.494 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840033 555081237 /nfs/dbraw/zinc/08/12/37/555081237.db2.gz RFSYZUIEKFFPTC-SIBVEZHUSA-N 1 0 542.532 5.684 50 0 KKAARO Ic1ccc(N=[P@](c2ccccc2)([C@H]2CCCC=C2[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000102945692 555171671 /nfs/dbraw/zinc/17/16/71/555171671.db2.gz HPCVIMORDGQJLI-UBOZLPQGSA-N 1 0 577.447 5.465 50 0 KKAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000102961467 555177187 /nfs/dbraw/zinc/17/71/87/555177187.db2.gz ZVMXCDIHJSEULA-VWLOTQADSA-N 1 0 583.154 5.545 50 0 KKAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103016862 555209829 /nfs/dbraw/zinc/20/98/29/555209829.db2.gz SXAGVEHGYUSQRE-MYRJMEBBSA-N 1 0 562.497 5.555 50 0 KKAARO O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024626 555215098 /nfs/dbraw/zinc/21/50/98/555215098.db2.gz SMEVTOFCSCSUKM-UHFFFAOYSA-N 1 0 546.115 6.369 50 0 KKAARO O=S(=O)(c1cccc(Br)c1)N1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103025419 555215654 /nfs/dbraw/zinc/21/56/54/555215654.db2.gz INMKBLJRVRRQQJ-UHFFFAOYSA-N 1 0 584.363 5.868 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103040199 555224854 /nfs/dbraw/zinc/22/48/54/555224854.db2.gz MFGSFJQYWNQDQK-WINIVTDRSA-N 1 0 574.644 6.008 50 0 KKAARO CCOC(=O)c1ccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C[NH+](CCC(C)C)CCC(C)C)cc2)cc1 ZINC000103060298 555241380 /nfs/dbraw/zinc/24/13/80/555241380.db2.gz UWNJIABJTKAUQD-RGQBWCEGSA-N 1 0 548.768 6.972 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NCC[NH+]3CCCC3)C[C@@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103124830 555292785 /nfs/dbraw/zinc/29/27/85/555292785.db2.gz YKGIQDXUZSLCJD-KMFVSHEXSA-N 1 0 594.646 5.211 50 0 KKAARO CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000103160325 555320763 /nfs/dbraw/zinc/32/07/63/555320763.db2.gz BOMNQJSOZCTGRF-LJAQVGFWSA-N 1 0 547.671 5.344 50 0 KKAARO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103204609 555338917 /nfs/dbraw/zinc/33/89/17/555338917.db2.gz GNVYSLWFVCJBOJ-JGCGQSQUSA-N 1 0 569.790 6.325 50 0 KKAARO Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)cc(C)c1Cl ZINC000103261542 555346939 /nfs/dbraw/zinc/34/69/39/555346939.db2.gz IGBHLWCKVUXSMN-GDLZYMKVSA-N 1 0 625.165 7.002 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355305 555363871 /nfs/dbraw/zinc/36/38/71/555363871.db2.gz RFNCQQRMQIRZNF-ZTXZFYJXSA-N 1 0 545.793 5.670 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363204 555365261 /nfs/dbraw/zinc/36/52/61/555365261.db2.gz HSCHHAAYXUKTPQ-PPHZAIPVSA-N 1 0 574.644 6.008 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363154 555365289 /nfs/dbraw/zinc/36/52/89/555365289.db2.gz SGHUENSJVVOIES-CLYVBNDRSA-N 1 0 575.537 6.296 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCCC3)C[C@@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000103365490 555365873 /nfs/dbraw/zinc/36/58/73/555365873.db2.gz JIRLNUDAXPQGRY-KMFVSHEXSA-N 1 0 612.636 5.350 50 0 KKAARO COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)c(C)c2)c1 ZINC000103409901 555395936 /nfs/dbraw/zinc/39/59/36/555395936.db2.gz LEABWNKPGVRXIP-UHFFFAOYSA-N 1 0 560.098 5.461 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000103411257 555396929 /nfs/dbraw/zinc/39/69/29/555396929.db2.gz SPFZTCMBWSHFIP-XYFQYJLHSA-N 1 0 555.763 6.856 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(OC)c(OCc2ccccc2)c1 ZINC000103419650 555400193 /nfs/dbraw/zinc/40/01/93/555400193.db2.gz CBZIPGIKDQRHCM-PDDLMNHVSA-N 1 0 555.763 6.915 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(OC)c(OCc2ccccc2)c1 ZINC000103419652 555400292 /nfs/dbraw/zinc/40/02/92/555400292.db2.gz CBZIPGIKDQRHCM-FREGXXQWSA-N 1 0 555.763 6.915 50 0 KKAARO Cc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1 ZINC000103427972 555410039 /nfs/dbraw/zinc/41/00/39/555410039.db2.gz YWUNTFDLIOHSAP-UUWRZZSWSA-N 1 0 592.183 8.178 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103518451 555424002 /nfs/dbraw/zinc/42/40/02/555424002.db2.gz PJAKLDZWFIABNU-SMVSGJMUSA-N 1 0 556.460 5.026 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1OC ZINC000103532644 555432920 /nfs/dbraw/zinc/43/29/20/555432920.db2.gz OREUHWJXLLJEAM-XKEBTDTJSA-N 1 0 586.644 5.694 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103537929 555436698 /nfs/dbraw/zinc/43/66/98/555436698.db2.gz GJKPHDMNCVZQEB-XWSGIVAFSA-N 1 0 586.644 5.694 50 0 KKAARO C[C@@H]1S[C@]2(c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000103555569 555445745 /nfs/dbraw/zinc/44/57/45/555445745.db2.gz HTSLORJIJDNBKV-JRPXNJEYSA-N 1 0 532.109 5.920 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000103559253 555447608 /nfs/dbraw/zinc/44/76/08/555447608.db2.gz MBERVRUVKNXIOP-BSKIJULFSA-N 1 0 614.064 8.284 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169293630 562852073 /nfs/dbraw/zinc/85/20/73/562852073.db2.gz JVAQZMVDSSVXGG-NWWWKGIRSA-N 1 0 564.151 6.052 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257117 562881704 /nfs/dbraw/zinc/88/17/04/562881704.db2.gz MYKURCFTIZBVPS-WORDSIFZSA-N 1 0 574.718 6.089 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101298984 571361294 /nfs/dbraw/zinc/36/12/94/571361294.db2.gz AUNLEKHFCIIDLO-CXNUKBDRSA-N 1 0 540.619 5.985 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288044 571361542 /nfs/dbraw/zinc/36/15/42/571361542.db2.gz BSKCIARFZJDADB-HDHDNLQWSA-N 1 0 614.698 6.474 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288093 571361546 /nfs/dbraw/zinc/36/15/46/571361546.db2.gz HEZOLSWARVYMRV-JWXXLELASA-N 1 0 584.672 6.466 50 0 KKAARO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288130 571361598 /nfs/dbraw/zinc/36/15/98/571361598.db2.gz NZTUBLJDNCPHMP-KCQQKVKYSA-N 1 0 555.634 5.852 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984707 571388718 /nfs/dbraw/zinc/38/87/18/571388718.db2.gz JTVUCQXNNMSOLD-DNQXCXABSA-N 1 0 517.428 5.705 50 0 KKAARO Cc1cccc(C[N@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000105044265 571390334 /nfs/dbraw/zinc/39/03/34/571390334.db2.gz PCYPAXKKKZBVFE-LBNVMWSVSA-N 1 0 562.579 6.037 50 0 KKAARO COc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000105042238 571390361 /nfs/dbraw/zinc/39/03/61/571390361.db2.gz PNIKLBBJXAAJED-OUTSHDOLSA-N 1 0 558.616 6.628 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000105061320 571390958 /nfs/dbraw/zinc/39/09/58/571390958.db2.gz QSZBAPLRLYFOLQ-DJUQAAIZSA-N 1 0 523.702 5.530 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000105061942 571391021 /nfs/dbraw/zinc/39/10/21/571391021.db2.gz HSCHHAAYXUKTPQ-XHCCPWGMSA-N 1 0 574.644 6.008 50 0 KKAARO O=S(=O)(NCc1cccc2ccccc21)c1cc(Cl)c(Oc2cccc(N3CC[NH2+]CC3)c2)s1 ZINC000118706019 571443441 /nfs/dbraw/zinc/44/34/41/571443441.db2.gz YAAVQYDOVJQDFZ-UHFFFAOYSA-N 1 0 514.072 5.235 50 0 in-vitro KKAARO CCCOc1ccc(C[NH+]2CCC(C(O)(c3cccc(C(F)(F)F)c3)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000135737647 571448927 /nfs/dbraw/zinc/44/89/27/571448927.db2.gz IBWJTUMCBHSJCC-UHFFFAOYSA-N 1 0 551.571 7.661 50 0 KKAARO COc1ccc(C(NCCOC(=O)NCCCCCCOP(OCCC#N)[NH+](C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 ZINC000150353347 571462713 /nfs/dbraw/zinc/46/27/13/571462713.db2.gz VTFLXOVDKJUHER-UHFFFAOYSA-N 1 0 676.839 8.156 50 0 KKAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387837 571470388 /nfs/dbraw/zinc/47/03/88/571470388.db2.gz OMBRXXQHSLGWSW-UHFFFAOYSA-N 1 0 643.209 5.271 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000150389019 571471330 /nfs/dbraw/zinc/47/13/30/571471330.db2.gz WELUKLFEEVQZSG-UHFFFAOYSA-N 1 0 641.683 8.415 50 0 KKAARO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150388975 571471351 /nfs/dbraw/zinc/47/13/51/571471351.db2.gz UHNCDPYLBITMAG-UHFFFAOYSA-N 1 0 646.102 8.908 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389087 571471434 /nfs/dbraw/zinc/47/14/34/571471434.db2.gz CGBSINPPINIMDE-UHFFFAOYSA-N 1 0 657.682 8.088 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389048 571471450 /nfs/dbraw/zinc/47/14/50/571471450.db2.gz AHXOLTFPSIDFNW-UHFFFAOYSA-N 1 0 678.575 10.197 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389236 571471700 /nfs/dbraw/zinc/47/17/00/571471700.db2.gz SZONHDIIOVHADQ-LDADJPATSA-N 1 0 663.777 10.077 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150396107 571476289 /nfs/dbraw/zinc/47/62/89/571476289.db2.gz HWAWYDAEOFZDMI-HKBQPEDESA-N 1 0 664.272 5.676 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396374 571476465 /nfs/dbraw/zinc/47/64/65/571476465.db2.gz AQLXOFSQHSSAAU-WJOKGBTCSA-N 1 0 650.245 5.681 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396386 571476506 /nfs/dbraw/zinc/47/65/06/571476506.db2.gz KRTPVRYRZIBVMA-PMERELPUSA-N 1 0 654.664 6.325 50 0 KKAARO Cc1cccc(CN2C(=O)/C(=C/c3ccccc3)Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc32)c1 ZINC000150433938 571494767 /nfs/dbraw/zinc/49/47/67/571494767.db2.gz XXXRGCHSJYXBTM-GMEAVFFOSA-N 1 0 651.276 7.579 50 0 KKAARO C(/C=C1/CCCC(/C=C\c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000150564440 571521131 /nfs/dbraw/zinc/52/11/31/571521131.db2.gz DFLIHZLYTOGUIE-UHFFFAOYSA-N 1 0 703.996 14.696 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000150596603 571522349 /nfs/dbraw/zinc/52/23/49/571522349.db2.gz XBNVUWBMHHIFIC-UYHPJTEGSA-N 1 0 690.807 7.774 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150602755 571522735 /nfs/dbraw/zinc/52/27/35/571522735.db2.gz VGBLLXYHSNXODN-OCZFFWILSA-N 1 0 665.854 6.714 50 0 KKAARO COc1cccc([C@@H]2N[C@H](c3cccc(OC)c3OC)C3C(=O)C2[C@H](c2cccc(OC)c2OC)N[C@@H]3c2cccc(OC)c2OC)c1OC ZINC000150642460 571524789 /nfs/dbraw/zinc/52/47/89/571524789.db2.gz VAYXHRUVUUPVJG-LLSWJAHXSA-N 1 0 684.786 6.028 50 0 KKAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000169677703 571555167 /nfs/dbraw/zinc/55/51/67/571555167.db2.gz DIFHZIUDXDUUFQ-RPLLCQBOSA-N 1 0 507.675 5.137 50 0 KKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677739 571555347 /nfs/dbraw/zinc/55/53/47/571555347.db2.gz XCNDMYKLQOKWQU-RSXGOPAZSA-N 1 0 513.629 5.031 50 0 KKAARO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677732 571555412 /nfs/dbraw/zinc/55/54/12/571555412.db2.gz LJGZUDQKQVFSON-OEQAEZTDSA-N 1 0 507.600 5.488 50 0 KKAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678769 571555932 /nfs/dbraw/zinc/55/59/32/571555932.db2.gz SNBZYKGSARCDRH-BDYUSTAISA-N 1 0 509.572 5.258 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000169680313 571556739 /nfs/dbraw/zinc/55/67/39/571556739.db2.gz XXEBEZWRQFUMQS-RPWUZVMVSA-N 1 0 511.638 5.133 50 0 KKAARO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680888 571557243 /nfs/dbraw/zinc/55/72/43/571557243.db2.gz QXXSAVXKVKGEHG-QXNWPYRLSA-N 1 0 579.832 5.613 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680882 571557323 /nfs/dbraw/zinc/55/73/23/571557323.db2.gz KMBSGQASVNVNGI-GTYOFVGBSA-N 1 0 547.740 5.941 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681805 571557572 /nfs/dbraw/zinc/55/75/72/571557572.db2.gz LRNXZRZFTIELAZ-RSXGOPAZSA-N 1 0 515.526 5.163 50 0 KKAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681806 571557739 /nfs/dbraw/zinc/55/77/39/571557739.db2.gz LRNXZRZFTIELAZ-AHWVRZQESA-N 1 0 515.526 5.163 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000169793344 571560530 /nfs/dbraw/zinc/56/05/30/571560530.db2.gz JSXFFODNDGTNRL-DSRMTXSPSA-N 1 0 574.766 5.336 50 0 KKAARO Cc1cccc([C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1 ZINC000170614218 571561924 /nfs/dbraw/zinc/56/19/24/571561924.db2.gz YFAWIZAGOUMOFN-PMERELPUSA-N 1 0 518.064 7.680 50 0 KKAARO O=C(C[NH+]1CCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1cccc(Br)c1 ZINC000170620045 571562390 /nfs/dbraw/zinc/56/23/90/571562390.db2.gz BSFOXQBFFJSIEO-AREMUKBSSA-N 1 0 634.372 6.906 50 0 KKAARO Clc1cccc(Cl)c1Cn1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491666 572110337 /nfs/dbraw/zinc/11/03/37/572110337.db2.gz BSYJYDCCTUVEKO-UHFFFAOYSA-N 1 0 509.466 5.854 50 0 KKAARO Clc1ccc(Cn2nc(C[NH2+]CCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492643 572110945 /nfs/dbraw/zinc/11/09/45/572110945.db2.gz XHDFCKDONLAEBH-UHFFFAOYSA-N 1 0 537.480 5.158 50 0 KKAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000263586230 572122447 /nfs/dbraw/zinc/12/24/47/572122447.db2.gz ROCADMIWBQUQNA-ACWDODGESA-N 1 0 648.845 5.070 50 0 KKAARO c1ccc(ON2P(Oc3ccccc3)N=P(Oc3ccccc3)(Oc3ccccc3)N(Oc3ccccc3)[P@@H+]2Oc2ccccc2)cc1 ZINC000263621390 572131997 /nfs/dbraw/zinc/13/19/97/572131997.db2.gz WIMMPRLEJHSVCV-UHFFFAOYSA-N 1 0 693.573 11.308 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000229647193 572159052 /nfs/dbraw/zinc/15/90/52/572159052.db2.gz RPUKYEYTCDNLPT-CDLOMYRSSA-N 1 0 563.416 5.090 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000230066030 572182389 /nfs/dbraw/zinc/18/23/89/572182389.db2.gz OUDOPQGDHPZRET-LBNVMWSVSA-N 1 0 548.716 5.457 50 0 KKAARO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245245644 572217807 /nfs/dbraw/zinc/21/78/07/572217807.db2.gz FMKKTXZITMUIJJ-ZYQDXHPFSA-N 1 0 551.952 5.821 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325676 572231970 /nfs/dbraw/zinc/23/19/70/572231970.db2.gz BZAJHVYCKFSBJP-BDYUSTAISA-N 1 0 538.610 6.448 50 0 KKAARO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000245343342 572238612 /nfs/dbraw/zinc/23/86/12/572238612.db2.gz MGLFGDLKKIEGCG-WBBHLRKXSA-N 1 0 529.750 5.801 50 0 KKAARO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)CN(C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343560 572238960 /nfs/dbraw/zinc/23/89/60/572238960.db2.gz RWCHXWGSPHPFOK-WOXYUUSFSA-N 1 0 504.630 6.175 50 0 KKAARO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459673 572242218 /nfs/dbraw/zinc/24/22/18/572242218.db2.gz AKLWVYCKPKUJCH-HXUWFJFHSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469526 572242368 /nfs/dbraw/zinc/24/23/68/572242368.db2.gz DXTKWLCQENMOIQ-QFIPXVFZSA-N 1 0 551.916 6.029 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473594 572242494 /nfs/dbraw/zinc/24/24/94/572242494.db2.gz GJGLIWOKJLUHIJ-FQEVSTJZSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482626 572242587 /nfs/dbraw/zinc/24/25/87/572242587.db2.gz JNAKOLFAGAUTIQ-HXUWFJFHSA-N 1 0 537.889 5.970 50 0 KKAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467789 572242618 /nfs/dbraw/zinc/24/26/18/572242618.db2.gz DCZVUUBAPVJPPK-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724480 572243835 /nfs/dbraw/zinc/24/38/35/572243835.db2.gz CLLWSCYJXFXQIC-QFIPXVFZSA-N 1 0 539.477 6.792 50 0 KKAARO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743902 572244470 /nfs/dbraw/zinc/24/44/70/572244470.db2.gz PGVMPDSGAYWRRB-SFHVURJKSA-N 1 0 568.313 6.401 50 0 KKAARO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754743 572244739 /nfs/dbraw/zinc/24/47/39/572244739.db2.gz WNICLMRSUCSYHR-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840042 572246026 /nfs/dbraw/zinc/24/60/26/572246026.db2.gz FBBBCXJDCSHISH-OAQYLSRUSA-N 1 0 550.053 5.518 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847177 572246247 /nfs/dbraw/zinc/24/62/47/572246247.db2.gz HJMDVTOCDGYVQQ-JOCHJYFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859654 572246549 /nfs/dbraw/zinc/24/65/49/572246549.db2.gz MDORLIAZVNIAEA-QHCPKHFHSA-N 1 0 596.990 6.606 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857616 572246555 /nfs/dbraw/zinc/24/65/55/572246555.db2.gz DNSRONZYSXNCCQ-HHHXNRCGSA-N 1 0 556.154 5.916 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865090 572246822 /nfs/dbraw/zinc/24/68/22/572246822.db2.gz IHHFWVCVXULHBX-MHZLTWQESA-N 1 0 556.154 5.916 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868731 572247049 /nfs/dbraw/zinc/24/70/49/572247049.db2.gz KFTKQTUFVJDYIC-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868527 572247229 /nfs/dbraw/zinc/24/72/29/572247229.db2.gz PTIBIMXEMKNYEZ-HSZRJFAPSA-N 1 0 596.990 6.606 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873207 572247417 /nfs/dbraw/zinc/24/74/17/572247417.db2.gz RUSNWBKXAORXGO-JOCHJYFZSA-N 1 0 576.514 5.488 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874520 572247519 /nfs/dbraw/zinc/24/75/19/572247519.db2.gz GMGMJUPYEJPEDF-XMMPIXPASA-N 1 0 592.571 5.961 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874540 572247595 /nfs/dbraw/zinc/24/75/95/572247595.db2.gz SKAMYPCUDVRBKN-PMERELPUSA-N 1 0 648.649 6.934 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881011 572247773 /nfs/dbraw/zinc/24/77/73/572247773.db2.gz RDFDXHVNHQLXEE-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886278 572248313 /nfs/dbraw/zinc/24/83/13/572248313.db2.gz XEODKSKSGLSJND-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885027 572248439 /nfs/dbraw/zinc/24/84/39/572248439.db2.gz SRUNXSHMUHYJHG-VWLOTQADSA-N 1 0 586.578 5.966 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893600 572248687 /nfs/dbraw/zinc/24/86/87/572248687.db2.gz ZCMYVMHDUVYSCO-JGCGQSQUSA-N 1 0 618.225 6.884 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895528 572248747 /nfs/dbraw/zinc/24/87/47/572248747.db2.gz XGSWPXZTRYBFCW-VWLOTQADSA-N 1 0 525.672 5.342 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955211 572250690 /nfs/dbraw/zinc/25/06/90/572250690.db2.gz VEGXQLXXALXIEM-QFIPXVFZSA-N 1 0 594.518 5.668 50 0 KKAARO Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977988 572251132 /nfs/dbraw/zinc/25/11/32/572251132.db2.gz DSBGSLZZFXMPGG-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247997860 572251618 /nfs/dbraw/zinc/25/16/18/572251618.db2.gz DMBVCXJRXPFFAC-XCZPVHLTSA-N 1 0 505.449 5.649 50 0 KKAARO CCCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025745 572252600 /nfs/dbraw/zinc/25/26/00/572252600.db2.gz WBYNSQPNMALRTQ-OAQYLSRUSA-N 1 0 511.508 6.039 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[N@@H+]5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089781 572253389 /nfs/dbraw/zinc/25/33/89/572253389.db2.gz MHDRXGOVDKXBQJ-DHIUTWEWSA-N 1 0 516.686 5.282 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100863 572253539 /nfs/dbraw/zinc/25/35/39/572253539.db2.gz PBHKFLMPTSNKMG-FIBWVYCGSA-N 1 0 534.666 7.705 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108428 572253743 /nfs/dbraw/zinc/25/37/43/572253743.db2.gz MNFCGMDFUWCTHJ-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132220 572254758 /nfs/dbraw/zinc/25/47/58/572254758.db2.gz LDTGQIZAYNSNJX-LJQANCHMSA-N 1 0 519.443 5.647 50 0 KKAARO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139293 572255081 /nfs/dbraw/zinc/25/50/81/572255081.db2.gz OSBHOLAHQMDFCS-HSZRJFAPSA-N 1 0 588.550 5.357 50 0 KKAARO Cc1cccc(N2CCN(C(=O)C3CCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c1C ZINC000248139224 572255091 /nfs/dbraw/zinc/25/50/91/572255091.db2.gz DYAONAMEMWBUKW-UHFFFAOYSA-N 1 0 525.672 5.342 50 0 KKAARO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152181 572255757 /nfs/dbraw/zinc/25/57/57/572255757.db2.gz KHVUPPGFGWXEDT-QFIPXVFZSA-N 1 0 517.471 5.625 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160185 572255984 /nfs/dbraw/zinc/25/59/84/572255984.db2.gz ODJQVBCFNBETAD-RUZDIDTESA-N 1 0 586.578 5.966 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209122 572256607 /nfs/dbraw/zinc/25/66/07/572256607.db2.gz CKYFFCMWEQOLFE-SQHAQQRYSA-N 1 0 530.581 6.998 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210356 572256666 /nfs/dbraw/zinc/25/66/66/572256666.db2.gz CWSPZNYWOHJHMV-BVAGGSTKSA-N 1 0 518.620 6.920 50 0 KKAARO COc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248227087 572256744 /nfs/dbraw/zinc/25/67/44/572256744.db2.gz JOXAZIBYPQVCCB-IGKIAQTJSA-N 1 0 510.600 6.127 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245130 572256988 /nfs/dbraw/zinc/25/69/88/572256988.db2.gz QDWKNZACXBCBPP-LSYYVWMOSA-N 1 0 562.598 7.738 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248249755 572257110 /nfs/dbraw/zinc/25/71/10/572257110.db2.gz RVTLWFPADAOMIX-NAKRPHOHSA-N 1 0 562.598 7.738 50 0 KKAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262272 572257434 /nfs/dbraw/zinc/25/74/34/572257434.db2.gz RCSJLSWMZMUQPD-IFMALSPDSA-N 1 0 517.471 5.877 50 0 KKAARO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248265341 572257524 /nfs/dbraw/zinc/25/75/24/572257524.db2.gz OBBAHLDVTGAGMQ-OOFOQYOKSA-N 1 0 532.684 6.599 50 0 KKAARO CCCCN(CCCC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270723 572257621 /nfs/dbraw/zinc/25/76/21/572257621.db2.gz ZJQPMHDIWJAZIW-JOCHJYFZSA-N 1 0 525.535 6.429 50 0 KKAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274428 572257716 /nfs/dbraw/zinc/25/77/16/572257716.db2.gz XQGNBFUTMDLDSY-IFMALSPDSA-N 1 0 517.471 5.877 50 0 KKAARO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000251979315 572259776 /nfs/dbraw/zinc/25/97/76/572259776.db2.gz FKUUBVMKHXGVTQ-OAQYLSRUSA-N 1 0 517.471 6.201 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc2)CC1 ZINC000252510579 572262115 /nfs/dbraw/zinc/26/21/15/572262115.db2.gz AJGWRVRMVBVBEA-PGWJBFNOSA-N 1 0 519.089 6.117 50 0 KKAARO CCC[NH+](CCC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252586549 572265479 /nfs/dbraw/zinc/26/54/79/572265479.db2.gz QTBOIOVFPCNPIH-JAYFQMPYSA-N 1 0 617.206 5.021 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252587103 572265902 /nfs/dbraw/zinc/26/59/02/572265902.db2.gz VPZSVEGKGKSXKT-VWNYFCMGSA-N 1 0 604.836 5.105 50 0 KKAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000253414821 572289054 /nfs/dbraw/zinc/28/90/54/572289054.db2.gz YSHZWGBIDMJDRG-SWWRHANQSA-N 1 0 588.749 5.102 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000253607190 572300896 /nfs/dbraw/zinc/30/08/96/572300896.db2.gz APNQHROHZBDXOL-SANMLTNESA-N 1 0 539.699 5.849 50 0 KKAARO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607535 572301028 /nfs/dbraw/zinc/30/10/28/572301028.db2.gz IBAPXSMXRSAOHU-OAQYLSRUSA-N 1 0 531.498 6.762 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616779 572301493 /nfs/dbraw/zinc/30/14/93/572301493.db2.gz DOJBBNACGFYIFK-XMMPIXPASA-N 1 0 516.705 6.871 50 0 KKAARO CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([NH+]4CCCCC4)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257350475 572321765 /nfs/dbraw/zinc/32/17/65/572321765.db2.gz XSWCEFIPJIPPPW-BWODTXPZSA-N 1 0 573.906 9.718 50 0 KKAARO Nc1cc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 ZINC000514264328 1069726346 /nfs/dbraw/zinc/72/63/46/1069726346.db2.gz JQPVEYUOVULZSP-SANMLTNESA-N 1 0 505.670 5.487 50 0 KKAARO CC(C)NC(=O)[C@H]1CC[C@@H](n2c3cc(C[NH+]4CCC(C(C)(C)O)CC4)ccc3nc2NC(=O)c2ccc(F)cc2)CC1 ZINC000725236948 1069801676 /nfs/dbraw/zinc/80/16/76/1069801676.db2.gz WSTUJEXAPHIEIM-FEGDYQJNSA-N 1 0 577.745 5.667 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000409413723 1069809715 /nfs/dbraw/zinc/80/97/15/1069809715.db2.gz KUNAGVVYJHKVLW-PWUYWRBVSA-N 1 0 542.676 5.797 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000524730853 1069833713 /nfs/dbraw/zinc/83/37/13/1069833713.db2.gz ZMASOYVUSKEAGT-UBBNAMOXSA-N 1 0 720.952 5.965 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734105 1069836986 /nfs/dbraw/zinc/83/69/86/1069836986.db2.gz XKLRAYLCHHZTLR-LFGICVIVSA-N 1 0 592.780 6.626 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 ZINC000524733157 1069838628 /nfs/dbraw/zinc/83/86/28/1069838628.db2.gz ZYVRMBMEFVKOIS-BAEGBANDSA-N 1 0 562.798 7.519 50 0 KKAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(C)c1C ZINC000023362851 1070058697 /nfs/dbraw/zinc/05/86/97/1070058697.db2.gz KMLAPVKTLCBNJG-XCZPVHLTSA-N 1 0 524.080 5.196 50 0 KKAARO Cc1c2ccc(/C=C/C=C/C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)ccc-2c(C)[n+]1-c1ccccc1 ZINC000685944268 1070940564 /nfs/dbraw/zinc/94/05/64/1070940564.db2.gz HSZRKBDRQNTWMD-VYUMVPQZSA-N 1 0 530.691 9.293 50 0 KKAARO CCN1c2cc3c(cc2S/C1=C/C1=C/C(=C/c2sc4cc5c(cc4[n+]2CC)OCO5)CCC1)OCO3 ZINC000685944392 1070942518 /nfs/dbraw/zinc/94/25/18/1070942518.db2.gz GUBFRRATCYEAAH-UHFFFAOYSA-N 1 0 519.668 6.633 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C/C1=C/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)C[C@H](C(=O)NC(C)C)C1 ZINC000685944416 1070942995 /nfs/dbraw/zinc/94/29/95/1070942995.db2.gz JBDWOAQJSACYJM-UHFFFAOYSA-O 1 0 668.996 8.388 50 0 KKAARO CN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C\C=C\C=C1\CCC(/C=C/C=C/C2=[N+](C)c3ccc(-c4ccccc4)cc3C2(C)C)=C1c1ccccc1 ZINC000685944396 1070943113 /nfs/dbraw/zinc/94/31/13/1070943113.db2.gz HHSUXKBZBMROHF-UHFFFAOYSA-N 1 0 716.005 13.181 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C\C=C1\C=C(/C=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)CCC1 ZINC000685944557 1070943651 /nfs/dbraw/zinc/94/36/51/1070943651.db2.gz WRZWWJBYRAXESP-UHFFFAOYSA-N 1 0 609.928 9.193 50 0 KKAARO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000103937851 1071046928 /nfs/dbraw/zinc/04/69/28/1071046928.db2.gz OEKBIVDGJORPRW-WUFINQPMSA-N 1 0 534.704 5.667 50 0 KKAARO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000199308407 1071136300 /nfs/dbraw/zinc/13/63/00/1071136300.db2.gz DLWPZGUCXZQXLX-AZGAKELHSA-N 1 0 549.637 6.105 50 0 KKAARO COc1cc(/C=C\C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)c1OC ZINC000150604768 1071174829 /nfs/dbraw/zinc/17/48/29/1071174829.db2.gz QYZYVFHHHAUMJI-VHXPQNKSSA-N 1 0 688.935 7.686 50 0 KKAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)CC1 ZINC000012282833 1071223780 /nfs/dbraw/zinc/22/37/80/1071223780.db2.gz SHLNAEADAZMPGD-HSZRJFAPSA-N 1 0 522.667 5.551 50 0 KKAARO Cc1cccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000011784957 1071231319 /nfs/dbraw/zinc/23/13/19/1071231319.db2.gz AOKMJYKGILTQHD-LXFBAYGMSA-N 1 0 529.685 5.094 50 0 KKAARO CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000011911432 1071233703 /nfs/dbraw/zinc/23/37/03/1071233703.db2.gz XYKLDATVADEPKZ-UHFFFAOYSA-N 1 0 531.575 5.340 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1)Cc1cccc2ccccc21 ZINC000012218670 1071239133 /nfs/dbraw/zinc/23/91/33/1071239133.db2.gz CXFJZFOZZZHUAP-UHFFFAOYSA-N 1 0 500.664 5.704 50 0 KKAARO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000200519595 1071290740 /nfs/dbraw/zinc/29/07/40/1071290740.db2.gz RSMOOUBASXXDOH-RRPNLBNLSA-N 1 0 520.677 5.358 50 0 KKAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014753016 1072892121 /nfs/dbraw/zinc/89/21/21/1072892121.db2.gz QCXQKWNIFVQTQU-WUFINQPMSA-N 1 0 523.702 5.783 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960968 1072893651 /nfs/dbraw/zinc/89/36/51/1072893651.db2.gz WUZCDWPOSKNROZ-XMMPIXPASA-N 1 0 501.656 5.182 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1Cc1cccc(Cl)c1 ZINC000019852872 1072897446 /nfs/dbraw/zinc/89/74/46/1072897446.db2.gz MXYIDRRCBMUBOD-UIOOFZCWSA-N 1 0 512.094 5.073 50 0 KKAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1cccc(Cl)c1 ZINC000039541815 1072898582 /nfs/dbraw/zinc/89/85/82/1072898582.db2.gz OUENUPNXMHMNEB-JDXGNMNLSA-N 1 0 516.060 5.724 50 0 KKAARO Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)N(C)Cc3ccon3)CC2)c1C ZINC000055133344 1072899319 /nfs/dbraw/zinc/89/93/19/1072899319.db2.gz GRRZRCNJLLKZRD-UHFFFAOYSA-N 1 0 530.694 5.380 50 0 KKAARO COc1ccc(N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001783732 551698762 /nfs/dbraw/zinc/69/87/62/551698762.db2.gz YSLRPKZZQWXJGE-LJAQVGFWSA-N 1 0 530.690 5.262 50 0 KKAARO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000001796982 551703170 /nfs/dbraw/zinc/70/31/70/551703170.db2.gz FAAAROXCYQEBPW-MUUNZHRXSA-N 1 0 519.110 7.908 50 0 KKAARO Brc1ccc2[nH]cc(CC[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2c1 ZINC000001920075 551734474 /nfs/dbraw/zinc/73/44/74/551734474.db2.gz SZLNXYKSOABWKJ-UHFFFAOYSA-N 1 0 530.489 8.462 50 0 KKAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000002051123 551738582 /nfs/dbraw/zinc/73/85/82/551738582.db2.gz WYENXXNEOUVJBL-MRXNPFEDSA-N 1 0 589.210 7.247 50 0 KKAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061188 551742703 /nfs/dbraw/zinc/74/27/03/551742703.db2.gz OKPSOGXYILIUFU-RPWUZVMVSA-N 1 0 511.796 6.460 50 0 KKAARO COc1ccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccccc1F ZINC000002119065 551769827 /nfs/dbraw/zinc/76/98/27/551769827.db2.gz XTIKATGLUNBFJD-WJOKGBTCSA-N 1 0 508.593 6.709 50 0 biogenic KKAARO CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000002377170 552107009 /nfs/dbraw/zinc/10/70/09/552107009.db2.gz PDILMFIBHUIWTQ-MUUNZHRXSA-N 1 0 512.606 5.186 50 0 KKAARO Brc1c(Br)c(Br)c(C[n+]2ccccc2)c(Br)c1Br ZINC000002587582 552131600 /nfs/dbraw/zinc/13/16/00/552131600.db2.gz STTWVCZSJDZGHF-UHFFFAOYSA-N 1 0 564.715 5.835 50 0 KKAARO Cc1cc(C)n(-c2nc3sc4c(c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)n2)CC(C)(C)OC4)n1 ZINC000002604219 552135214 /nfs/dbraw/zinc/13/52/14/552135214.db2.gz BTBXKZIJLUSAPG-UHFFFAOYSA-N 1 0 564.759 6.257 50 0 KKAARO Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc(Cl)cc2)sc2c3CCN(Cc3ccccc3)C2)cc1 ZINC000002605235 552135771 /nfs/dbraw/zinc/13/57/71/552135771.db2.gz MDXZHNVEKAMXLL-UHFFFAOYSA-N 1 0 572.155 6.942 50 0 KKAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1Br ZINC000002917760 552218402 /nfs/dbraw/zinc/21/84/02/552218402.db2.gz PDRKBKMBQMZHLD-RPWUZVMVSA-N 1 0 505.347 5.401 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000003054242 552279542 /nfs/dbraw/zinc/27/95/42/552279542.db2.gz ZKJCVOJCFZMSRZ-MOHJPFBDSA-N 1 0 517.617 5.568 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000003054731 552279747 /nfs/dbraw/zinc/27/97/47/552279747.db2.gz DJIRMBIZSBQIOB-HKOYGPOVSA-N 1 0 530.532 5.557 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000003061355 552282376 /nfs/dbraw/zinc/28/23/76/552282376.db2.gz YTRMNNRPUFGYGT-UCTFJTRWSA-N 1 0 525.718 6.279 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)C1=O ZINC000003063265 552283865 /nfs/dbraw/zinc/28/38/65/552283865.db2.gz XDUUVIPSRBLHNM-PPFNPFNJSA-N 1 0 573.762 7.069 50 0 KKAARO CC[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2)Cc1ccccc1 ZINC000003065430 552284623 /nfs/dbraw/zinc/28/46/23/552284623.db2.gz MDBVYNFVMZBDPU-XSVYLIDLSA-N 1 0 575.778 7.317 50 0 KKAARO CCOC(=O)c1ccc2c(c1)[n+](CC)c(/C=C/N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)n2CC ZINC000003098192 552287706 /nfs/dbraw/zinc/28/77/06/552287706.db2.gz BICISIHJSLNHQG-UHFFFAOYSA-N 1 0 518.659 5.320 50 0 KKAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003205914 552304608 /nfs/dbraw/zinc/30/46/08/552304608.db2.gz ZFCISOLEDSXKAK-GDLZYMKVSA-N 1 0 506.473 7.163 50 0 KKAARO CCOc1ccccc1/C=C/C(=O)Nc1ccc2[nH+]c3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3 ZINC000003646115 552401552 /nfs/dbraw/zinc/40/15/52/552401552.db2.gz YONKRFRIMOQNQU-QGOAFFKASA-N 1 0 523.633 6.925 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccc(Cl)c4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646060 552401611 /nfs/dbraw/zinc/40/16/11/552401611.db2.gz XXSMSUUHFUGZPL-XNTDXEJSSA-N 1 0 514.025 7.180 50 0 KKAARO COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(Br)cc3)ccc2[nH+]c2c1CCCC2 ZINC000003646041 552401715 /nfs/dbraw/zinc/40/17/15/552401715.db2.gz MNDMNDWRUUMPPG-SFQUDFHCSA-N 1 0 528.450 7.280 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000003661390 552407028 /nfs/dbraw/zinc/40/70/28/552407028.db2.gz HTEOXDQNFOVGPW-FQLXRVMXSA-N 1 0 517.645 5.163 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@]3(O)c4ccccc4NC(=O)N3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003670400 552411229 /nfs/dbraw/zinc/41/12/29/552411229.db2.gz UFHSVHIHZKHPNC-GDLZYMKVSA-N 1 0 553.490 5.527 50 0 KKAARO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000003842798 552420254 /nfs/dbraw/zinc/42/02/54/552420254.db2.gz WDPFJWLDPVQCAJ-UHFFFAOYSA-N 1 0 666.785 7.220 50 0 investigational KKAARO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC ZINC000003930015 552422730 /nfs/dbraw/zinc/42/27/30/552422730.db2.gz GCVFQRRBTCHIPK-UHFFFAOYSA-N 1 0 564.748 6.095 50 0 in-vitro KKAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Br)cc2)nc2cc(Cl)ccc21 ZINC000004427489 552460391 /nfs/dbraw/zinc/46/03/91/552460391.db2.gz SDPFFPOZNWFUGT-SPQRHKFCSA-N 1 0 501.900 7.139 50 0 KKAARO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000006166780 552556903 /nfs/dbraw/zinc/55/69/03/552556903.db2.gz ZKPYSFYEILIYPT-UHFFFAOYSA-N 1 0 616.076 8.899 50 0 KKAARO O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444826 553052035 /nfs/dbraw/zinc/05/20/35/553052035.db2.gz PDXWEDPGKPWEPA-KEMCIHPCSA-N 1 0 592.504 6.033 50 0 KKAARO O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454577 553069364 /nfs/dbraw/zinc/06/93/64/553069364.db2.gz FFKCDBDXHGVPGQ-QXNBIECVSA-N 1 0 626.949 6.686 50 0 KKAARO COc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000008591369 553082449 /nfs/dbraw/zinc/08/24/49/553082449.db2.gz SHFLERSLERXBFX-LICLKQGHSA-N 1 0 509.606 6.535 50 0 aggregator KKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccc(OC)c4OC)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000008591378 553082513 /nfs/dbraw/zinc/08/25/13/553082513.db2.gz GDLCHXBEXYXYFA-SFQUDFHCSA-N 1 0 539.632 6.544 50 0 KKAARO Cc1cccc(C)c1-n1ncc(C(=O)NCCC[NH+]2CCC(C)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597360 553092786 /nfs/dbraw/zinc/09/27/86/553092786.db2.gz QTZXYESZHJSVLY-UHFFFAOYSA-N 1 0 537.749 5.455 50 0 KKAARO CCOc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OCC ZINC000008597587 553093362 /nfs/dbraw/zinc/09/33/62/553093362.db2.gz WATZZLLIKICGOJ-UHFFFAOYSA-N 1 0 505.659 5.327 50 0 KKAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(C)o2)cc1 ZINC000008597796 553094159 /nfs/dbraw/zinc/09/41/59/553094159.db2.gz IZGZWVVFFWOPDG-VWLOTQADSA-N 1 0 521.105 5.735 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1 ZINC000008610256 553100983 /nfs/dbraw/zinc/10/09/83/553100983.db2.gz ZFFCAXQDMOXTIQ-UHFFFAOYSA-N 1 0 512.123 5.191 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008614208 553101996 /nfs/dbraw/zinc/10/19/96/553101996.db2.gz JJSFGTOEWWPNLL-UHFFFAOYSA-N 1 0 503.647 5.127 50 0 KKAARO COc1cc2c(cc1OC)C(/C=C1\SC(C(=O)c3ccccc3)=NN1c1ccc(Cl)cc1)=[NH+]CC2 ZINC000008636969 553105678 /nfs/dbraw/zinc/10/56/78/553105678.db2.gz XVUJMYFLIKSAMY-XYGWBWBKSA-N 1 0 504.011 5.994 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000008696050 553125481 /nfs/dbraw/zinc/12/54/81/553125481.db2.gz BHRDUEIPRGSBCH-CYTLCNBWSA-N 1 0 595.788 6.397 50 0 KKAARO COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008717730 553129156 /nfs/dbraw/zinc/12/91/56/553129156.db2.gz IJYIBAINXSLCRV-AREMUKBSSA-N 1 0 518.455 5.994 50 0 KKAARO Oc1ccccc1C=CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccc(Br)cc3)cs2)[NH2+]1 ZINC000008754034 553135790 /nfs/dbraw/zinc/13/57/90/553135790.db2.gz XKDYHQLEYRLWDR-JRMCHAMMSA-N 1 0 510.335 5.809 50 0 KKAARO COc1ccccc1Nc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000008814214 553151357 /nfs/dbraw/zinc/15/13/57/553151357.db2.gz VMUCCSCOPGEWKO-UHFFFAOYSA-N 1 0 530.072 5.583 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008817827 553153095 /nfs/dbraw/zinc/15/30/95/553153095.db2.gz VQSRNBNMHNOSTP-QFIPXVFZSA-N 1 0 500.437 5.212 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000008877369 553175536 /nfs/dbraw/zinc/17/55/36/553175536.db2.gz PLYVOBASVIKOCU-UHFFFAOYSA-N 1 0 529.102 5.123 50 0 KKAARO O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000008912139 553185304 /nfs/dbraw/zinc/18/53/04/553185304.db2.gz KVNBZLICBHMYGW-UHFFFAOYSA-N 1 0 531.701 5.454 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913754 553185604 /nfs/dbraw/zinc/18/56/04/553185604.db2.gz OYODENPBMNAAEW-XMMPIXPASA-N 1 0 503.647 5.125 50 0 KKAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CC[NH+](CC)CC1 ZINC000008927254 553191758 /nfs/dbraw/zinc/19/17/58/553191758.db2.gz SHEWHYYVPMNWDW-UHFFFAOYSA-N 1 0 501.656 5.729 50 0 KKAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH+]2CCCC2)cc1OCC ZINC000009088529 553208891 /nfs/dbraw/zinc/20/88/91/553208891.db2.gz BZAYKQWIPKBNFG-VWLOTQADSA-N 1 0 510.675 5.046 50 0 biogenic KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009164714 553215662 /nfs/dbraw/zinc/21/56/62/553215662.db2.gz NYKMAHGDJZOFFH-NRFANRHFSA-N 1 0 506.391 5.795 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000009227822 553222414 /nfs/dbraw/zinc/22/24/14/553222414.db2.gz WLTWHXKOJQOKRP-UHFFFAOYSA-N 1 0 530.113 5.246 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000009227833 553222461 /nfs/dbraw/zinc/22/24/61/553222461.db2.gz JKLBCDCWMXSUJR-UHFFFAOYSA-N 1 0 530.113 5.246 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009433192 553262896 /nfs/dbraw/zinc/26/28/96/553262896.db2.gz SDOFMFCDEVRPSV-IZLXSDGUSA-N 1 0 501.696 5.466 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009433223 553263024 /nfs/dbraw/zinc/26/30/24/553263024.db2.gz YDXBHKORPNXBLF-VSGBNLITSA-N 1 0 501.696 5.249 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433571 553263306 /nfs/dbraw/zinc/26/33/06/553263306.db2.gz DREGXDDIMRKLTI-VMPREFPWSA-N 1 0 513.707 5.752 50 0 KKAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 ZINC000009462931 553268690 /nfs/dbraw/zinc/26/86/90/553268690.db2.gz GOPMRNOOTMRKNG-RUZDIDTESA-N 1 0 508.449 6.538 50 0 KKAARO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)ccc2Sc2ccccc21 ZINC000009561594 553281288 /nfs/dbraw/zinc/28/12/88/553281288.db2.gz DILLSHSXBIBZPD-UHFFFAOYSA-N 1 0 526.750 6.631 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc2c(c1)N=C(CCC)c1cc(C)ccc1S2)Cc1ccccc1 ZINC000009608148 553287495 /nfs/dbraw/zinc/28/74/95/553287495.db2.gz IWDPIUUBIAADGH-UHFFFAOYSA-N 1 0 513.751 7.803 50 0 KKAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccc(C)c(C)c4)c3C)cc2)CC1 ZINC000009610299 553288255 /nfs/dbraw/zinc/28/82/55/553288255.db2.gz QPYLXKGBXRPNHU-UHFFFAOYSA-N 1 0 524.713 5.676 50 0 KKAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000009693928 553299268 /nfs/dbraw/zinc/29/92/68/553299268.db2.gz WLSPIKDJQRSWEH-OAQYLSRUSA-N 1 0 513.469 5.518 50 0 KKAARO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1 ZINC000011680799 553340264 /nfs/dbraw/zinc/34/02/64/553340264.db2.gz QJZRFPJCWMNVAV-HHHXNRCGSA-N 1 0 517.073 5.595 50 0 investigational KKAARO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccsc2)C3)C1 ZINC000011813097 553343447 /nfs/dbraw/zinc/34/34/47/553343447.db2.gz NTODEFXBXUEMQA-NRFANRHFSA-N 1 0 511.087 5.753 50 0 KKAARO COc1ccccc1CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000011910095 553348700 /nfs/dbraw/zinc/34/87/00/553348700.db2.gz AZIXVFZWCNGRIN-JOCHJYFZSA-N 1 0 516.638 5.061 50 0 KKAARO Cc1cccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c1 ZINC000012053609 553350650 /nfs/dbraw/zinc/35/06/50/553350650.db2.gz PBIWPKFAAXKTDX-SQHAQQRYSA-N 1 0 526.731 6.480 50 0 KKAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1)Cc1cccc2cccnc21 ZINC000012151265 553352453 /nfs/dbraw/zinc/35/24/53/553352453.db2.gz HBBHKOAZCVXDBH-NDEPHWFRSA-N 1 0 533.676 5.978 50 0 KKAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](CC(c4ccccc4)c4ccccc4)CC3)c2C1=O ZINC000012149701 553352480 /nfs/dbraw/zinc/35/24/80/553352480.db2.gz MIVPDCFSAGZUOC-QFIPXVFZSA-N 1 0 522.674 5.454 50 0 KKAARO O=C(/C=C/c1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C1 ZINC000012247611 553355209 /nfs/dbraw/zinc/35/52/09/553355209.db2.gz ZHRDDCPCFRGFLZ-BOMYWPOKSA-N 1 0 501.696 5.401 50 0 KKAARO COc1cc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000012464648 553367494 /nfs/dbraw/zinc/36/74/94/553367494.db2.gz LJVGJKIWELBDTB-UHFFFAOYSA-N 1 0 502.655 5.196 50 0 KKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000013129697 553450775 /nfs/dbraw/zinc/45/07/75/553450775.db2.gz RMJSTGZLWQSKKI-RUZDIDTESA-N 1 0 509.444 5.604 50 0 KKAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)[NH+]2CCCCC2)cc1 ZINC000013134281 553452102 /nfs/dbraw/zinc/45/21/02/553452102.db2.gz YUTZVELKXCSQGA-AREMUKBSSA-N 1 0 513.465 6.538 50 0 KKAARO CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000013689256 553485680 /nfs/dbraw/zinc/48/56/80/553485680.db2.gz HFOPANZAHWLDII-UHFFFAOYSA-N 1 0 514.626 5.044 50 0 KKAARO Clc1ccc(-c2nc3ccccc3c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1Cl ZINC000013757054 553488282 /nfs/dbraw/zinc/48/82/82/553488282.db2.gz KAPBAIOGQFEPHT-UHFFFAOYSA-N 1 0 525.483 7.515 50 0 KKAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)N1CCc1ccccc1 ZINC000014746698 553520358 /nfs/dbraw/zinc/52/03/58/553520358.db2.gz YZONQAHENSIGOB-UHFFFAOYSA-N 1 0 510.663 5.338 50 0 KKAARO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000015002368 553525020 /nfs/dbraw/zinc/52/50/20/553525020.db2.gz RJHAMKMYIAXCGZ-OAQYLSRUSA-N 1 0 502.611 5.018 50 0 KKAARO CCOC(=O)N1CCN(c2nc3cc4c(cc3cc2C[NH2+]Cc2ccccc2C(F)(F)F)CCC4)CC1 ZINC000015069676 553527424 /nfs/dbraw/zinc/52/74/24/553527424.db2.gz UTKVHOVMHGISJK-UHFFFAOYSA-N 1 0 512.576 5.311 50 0 KKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000015946559 553544718 /nfs/dbraw/zinc/54/47/18/553544718.db2.gz KTRMCPBIXAXWMC-JOCHJYFZSA-N 1 0 503.712 6.497 50 0 KKAARO COc1c(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1Br ZINC000015947052 553545042 /nfs/dbraw/zinc/54/50/42/553545042.db2.gz ZJDYYQJUHVAQKM-KRWDZBQOSA-N 1 0 515.271 5.477 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947048 553545086 /nfs/dbraw/zinc/54/50/86/553545086.db2.gz KGTJJLUNRVXIFE-QFIPXVFZSA-N 1 0 516.450 6.470 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947069 553545159 /nfs/dbraw/zinc/54/51/59/553545159.db2.gz YHILSUQXAUFKTF-HSZRJFAPSA-N 1 0 512.473 6.285 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2OC)N3)C1 ZINC000015947404 553545359 /nfs/dbraw/zinc/54/53/59/553545359.db2.gz DPANJZYYVHDYNS-MRXNPFEDSA-N 1 0 501.244 5.089 50 0 KKAARO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)cc1 ZINC000020149813 553594718 /nfs/dbraw/zinc/59/47/18/553594718.db2.gz VUMNXSGZOHFUCF-UHFFFAOYSA-N 1 0 527.646 5.307 50 0 KKAARO FC(F)(F)c1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000017376247 553594848 /nfs/dbraw/zinc/59/48/48/553594848.db2.gz AMJQCSLHSRWVTB-UHFFFAOYSA-N 1 0 535.079 6.894 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000070670212 553601037 /nfs/dbraw/zinc/60/10/37/553601037.db2.gz HFQJBUQVKPUIOI-QHCPKHFHSA-N 1 0 621.167 7.278 50 0 biogenic KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000070687182 553606420 /nfs/dbraw/zinc/60/64/20/553606420.db2.gz LQRYJSOKRCGDGI-TZMFWNFDSA-N 1 0 520.664 5.986 50 0 biogenic KKAARO COC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019118075 553612419 /nfs/dbraw/zinc/61/24/19/553612419.db2.gz JDDZUUCBTHMJQH-UHFFFAOYSA-N 1 0 503.606 5.119 50 0 KKAARO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCC[NH+](CC)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070699000 553615361 /nfs/dbraw/zinc/61/53/61/553615361.db2.gz OMZGZWNRWQZICH-JQJBXXCASA-N 1 0 560.739 5.119 50 0 biogenic KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019731560 553615855 /nfs/dbraw/zinc/61/58/55/553615855.db2.gz QRXDXGBZUDUCJL-HKBQPEDESA-N 1 0 515.701 6.462 50 0 KKAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)c2ccccc2n3CC)CN1Cc1cccc2ccccc21 ZINC000019838629 553623203 /nfs/dbraw/zinc/62/32/03/553623203.db2.gz ZQTSTAHALUPTIN-DICHSLLOSA-N 1 0 504.678 5.836 50 0 KKAARO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC5CC(C)(C)[NH2+]C(C)(C)C5)cc4)C(=O)N32)cc1 ZINC000070704731 553623560 /nfs/dbraw/zinc/62/35/60/553623560.db2.gz IECYCWYPYVSVFX-SMCANUKXSA-N 1 0 589.740 5.998 50 0 biogenic KKAARO CC1(C)CC(NC(=O)c2ccccc2N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccc(F)cc4)N3C2=O)CC(C)(C)[NH2+]1 ZINC000070705476 553625629 /nfs/dbraw/zinc/62/56/29/553625629.db2.gz QSNBJEHSESIERJ-JDXGNMNLSA-N 1 0 593.703 5.829 50 0 biogenic KKAARO COc1cccc(-c2nc(CSCC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)c1 ZINC000020241067 553626783 /nfs/dbraw/zinc/62/67/83/553626783.db2.gz DRWWAUBEDRAFBP-UHFFFAOYSA-N 1 0 507.700 5.353 50 0 KKAARO FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894407 553632113 /nfs/dbraw/zinc/63/21/13/553632113.db2.gz KGPYFYFXKTVCLU-UHFFFAOYSA-N 1 0 508.975 6.727 50 0 KKAARO CCOC(=O)c1c(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)sc2c1CCCC2 ZINC000020386527 553644101 /nfs/dbraw/zinc/64/41/01/553644101.db2.gz JNAHSFRKKLRWEJ-KRWDZBQOSA-N 1 0 526.728 5.917 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072175086 553645747 /nfs/dbraw/zinc/64/57/47/553645747.db2.gz JONCTUOIKOGBBK-UIXCGLKTSA-N 1 0 564.151 5.765 50 0 KKAARO Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000019944530 553646115 /nfs/dbraw/zinc/64/61/15/553646115.db2.gz IWPJMBAUUVXIBQ-UHFFFAOYSA-N 1 0 519.575 5.123 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412768 553647143 /nfs/dbraw/zinc/64/71/43/553647143.db2.gz IBCOGKCITUYAKE-WRZLIUBLSA-N 1 0 519.129 6.505 50 0 biogenic KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000020502036 553667779 /nfs/dbraw/zinc/66/77/79/553667779.db2.gz RKSJSKPKKISJJF-UHFFFAOYSA-N 1 0 515.705 6.914 50 0 KKAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000020508272 553667940 /nfs/dbraw/zinc/66/79/40/553667940.db2.gz CAUBVGXGZPIDAI-NSOVKSMOSA-N 1 0 519.711 5.092 50 0 KKAARO CC[C@H](C)[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000020508726 553668419 /nfs/dbraw/zinc/66/84/19/553668419.db2.gz ZMIQZIMIKPRVMV-PWUSVURUSA-N 1 0 533.738 6.371 50 0 KKAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000082171168 553674233 /nfs/dbraw/zinc/67/42/33/553674233.db2.gz RGSYGZZGUHHNSQ-UHFFFAOYSA-N 1 0 662.838 6.675 50 0 KKAARO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C2)CCN1C ZINC000085541019 553683096 /nfs/dbraw/zinc/68/30/96/553683096.db2.gz QAFGBLDGRLFICB-WDYNHAJCSA-N 1 0 638.761 6.868 50 0 biogenic,in-vitro KKAARO O=C(CCCc1cn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12)N1CCCC1 ZINC000020648870 553685397 /nfs/dbraw/zinc/68/53/97/553685397.db2.gz MEONCVYIVMZERO-UHFFFAOYSA-N 1 0 520.721 5.951 50 0 KKAARO O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020726724 553690264 /nfs/dbraw/zinc/69/02/64/553690264.db2.gz JNVLGQHSAYHYAA-IADYIPOJSA-N 1 0 511.691 5.237 50 0 KKAARO CC(C)[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020726416 553690343 /nfs/dbraw/zinc/69/03/43/553690343.db2.gz PKHJGHLROMYTSB-IMRQLAEWSA-N 1 0 520.098 5.847 50 0 KKAARO C[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020727047 553690639 /nfs/dbraw/zinc/69/06/39/553690639.db2.gz HTKLXQXVJHJZII-ITYLOYPMSA-N 1 0 506.071 5.458 50 0 KKAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)CC1 ZINC000020727870 553691016 /nfs/dbraw/zinc/69/10/16/553691016.db2.gz UATSHGDRAWDLBA-ULJHMMPZSA-N 1 0 517.617 5.423 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727887 553691018 /nfs/dbraw/zinc/69/10/18/553691018.db2.gz PAIZSPIFKXWLNH-UZXDDYOISA-N 1 0 517.617 5.423 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732093 553692243 /nfs/dbraw/zinc/69/22/43/553692243.db2.gz HSGMMJYYENDDJC-UQRQXUALSA-N 1 0 525.693 6.204 50 0 KKAARO Cc1cc(C)c(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000020733464 553692998 /nfs/dbraw/zinc/69/29/98/553692998.db2.gz KNABARWJUZKGAO-UHFFFAOYSA-N 1 0 509.163 6.800 50 0 KKAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737665 553694683 /nfs/dbraw/zinc/69/46/83/553694683.db2.gz KWPZNKJRBDWMGN-XBKLCXBFSA-N 1 0 511.691 5.889 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115132 553696644 /nfs/dbraw/zinc/69/66/44/553696644.db2.gz VEKDLAAFERIAAY-MHZLTWQESA-N 1 0 536.742 5.237 50 0 KKAARO CC(C)C[NH+](CCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C)CC(C)C ZINC000020116096 553697124 /nfs/dbraw/zinc/69/71/24/553697124.db2.gz ZHNDSLOOVWFIAL-ZLDCORIASA-N 1 0 509.779 5.639 50 0 KKAARO Cc1ccc(C)n1-c1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000020864767 553700810 /nfs/dbraw/zinc/70/08/10/553700810.db2.gz FKTPRKVLDKZNAX-UHFFFAOYSA-N 1 0 528.745 5.282 50 0 KKAARO C[NH+]1CCC(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)c3c(=O)[nH]cc(Br)c3n2)CC1 ZINC000095644293 553706589 /nfs/dbraw/zinc/70/65/89/553706589.db2.gz SXWMIXPJPNCXQQ-UHFFFAOYSA-N 1 0 521.419 5.123 50 0 in-vitro KKAARO CCOc1cc(C[NH+](Cc2ccc(OC)c(OCC)c2)[C@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000022078858 553725808 /nfs/dbraw/zinc/72/58/08/553725808.db2.gz CYAHCSHHQPVKGY-SSEXGKCCSA-N 1 0 525.689 7.487 50 0 KKAARO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1 ZINC000096174842 553727186 /nfs/dbraw/zinc/72/71/86/553727186.db2.gz AOZPVMOOEJAZGK-UHFFFAOYSA-N 1 0 552.597 5.691 50 0 in-vitro KKAARO CCOc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C ZINC000096270216 553731632 /nfs/dbraw/zinc/73/16/32/553731632.db2.gz XVBGRTMNFNMINE-UHFFFAOYSA-N 1 0 638.817 5.142 50 0 in-vitro KKAARO COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096275512 553732526 /nfs/dbraw/zinc/73/25/26/553732526.db2.gz VZRZEUYGMJPBJM-MHZLTWQESA-N 1 0 511.666 5.500 50 0 KKAARO CCOc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276563 553733237 /nfs/dbraw/zinc/73/32/37/553733237.db2.gz QNWGALJUVVOTPB-GDLZYMKVSA-N 1 0 513.657 5.961 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](CCc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000096278285 553734886 /nfs/dbraw/zinc/73/48/86/553734886.db2.gz HPXNEYJNNLQXGK-NYDCQLBNSA-N 1 0 537.792 7.731 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287494 553738593 /nfs/dbraw/zinc/73/85/93/553738593.db2.gz FVYNGXFVSUGXSX-PWUYWRBVSA-N 1 0 531.691 7.117 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287492 553738655 /nfs/dbraw/zinc/73/86/55/553738655.db2.gz FVYNGXFVSUGXSX-OUTSHDOLSA-N 1 0 531.691 7.117 50 0 KKAARO Clc1ccc(-c2cc3ccccc3n2CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454859 553742581 /nfs/dbraw/zinc/74/25/81/553742581.db2.gz VHNBIDMLRRINJR-UHFFFAOYSA-N 1 0 520.120 7.759 50 0 KKAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CC[NH+]([C@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000022790031 553750217 /nfs/dbraw/zinc/75/02/17/553750217.db2.gz DCQOJPJDONNMCF-XTEPFMGCSA-N 1 0 536.701 5.079 50 0 KKAARO O=C(NCCCN1CC[NH+](CCCNC(=O)C2c3ccccc3Oc3ccccc32)CC1)C1c2ccccc2Oc2ccccc21 ZINC000022790423 553750237 /nfs/dbraw/zinc/75/02/37/553750237.db2.gz BUFRHUSJFSFFHH-UHFFFAOYSA-N 1 0 616.762 5.492 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000096343545 553752615 /nfs/dbraw/zinc/75/26/15/553752615.db2.gz JWHCSLSSRVHCLF-JIPXPUAJSA-N 1 0 533.068 6.400 50 0 KKAARO CC(C)Cc1ccc([C@@H](C)CC(=O)OCC(=O)NCCCOc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000096563915 553755756 /nfs/dbraw/zinc/75/57/56/553755756.db2.gz HDRXKOPORHCYMU-VWLOTQADSA-N 1 0 508.703 5.493 50 0 KKAARO CCC([NH3+])(COC(c1ccc(F)cc1)c1ccc(F)cc1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000096593775 553756670 /nfs/dbraw/zinc/75/66/70/553756670.db2.gz XEALRLJHIIVSNA-UHFFFAOYSA-N 1 0 523.570 7.263 50 0 KKAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000097940116 553763549 /nfs/dbraw/zinc/76/35/49/553763549.db2.gz KUYHIOPCDBYYEW-BSBODGDASA-N 1 0 677.368 5.696 50 0 KKAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873391 553766186 /nfs/dbraw/zinc/76/61/86/553766186.db2.gz VHVJBTKSEFANSC-FTJBHMTQSA-N 1 0 611.584 5.705 50 0 KKAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022947466 553768404 /nfs/dbraw/zinc/76/84/04/553768404.db2.gz FFVKOMHSNKRTBY-JBASAIQMSA-N 1 0 558.723 5.263 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000097948210 553792088 /nfs/dbraw/zinc/79/20/88/553792088.db2.gz CJXWGMSFJJDUAM-UHFFFAOYSA-N 1 0 557.503 5.229 50 0 KKAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000097949291 553801089 /nfs/dbraw/zinc/80/10/89/553801089.db2.gz JIPZNFNBVQYKMV-UHFFFAOYSA-N 1 0 743.786 8.104 50 0 KKAARO CCCSc1nc2sc3c(c2c(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000097954500 553823558 /nfs/dbraw/zinc/82/35/58/553823558.db2.gz OYNAWKQEORYPLO-UHFFFAOYSA-N 1 0 544.790 6.956 50 0 KKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1Cl ZINC000027585450 553835480 /nfs/dbraw/zinc/83/54/80/553835480.db2.gz SSQBLIBRRAVGGX-UHFFFAOYSA-N 1 0 508.069 6.578 50 0 KKAARO COc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc(-c5ccc(OC)c(OC)c5)nc5ccccc54)CC3)c3ccccc3n2)cc1OC ZINC000097959299 553862672 /nfs/dbraw/zinc/86/26/72/553862672.db2.gz YWGREYPTHCZDPT-UHFFFAOYSA-N 1 0 782.942 6.709 50 0 KKAARO CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=c1\s/c(=C\c2sc(-c3ccccc3)c(-c3ccccc3)[n+]2CC)n(CC)c1=O ZINC000097962850 553885641 /nfs/dbraw/zinc/88/56/41/553885641.db2.gz DBBRLXSEDBPAKQ-ZYXDWKDWSA-N 1 0 696.987 8.678 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963431 553889985 /nfs/dbraw/zinc/88/99/85/553889985.db2.gz INBUEUSYEPYDCJ-FQEVSTJZSA-N 1 0 594.828 6.464 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963606 553892498 /nfs/dbraw/zinc/89/24/98/553892498.db2.gz DAZMVROLEAUXGF-UHFFFAOYSA-N 1 0 581.760 5.478 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000033252323 553913912 /nfs/dbraw/zinc/91/39/12/553913912.db2.gz GNYXPCBSEXDCJB-UHFFFAOYSA-N 1 0 524.065 5.390 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000033355704 553936311 /nfs/dbraw/zinc/93/63/11/553936311.db2.gz LKQVHROZTSZOMJ-ITOWZWGRSA-N 1 0 595.582 5.311 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000033355697 553936370 /nfs/dbraw/zinc/93/63/70/553936370.db2.gz COUHLFJHQDMRMA-LOYHVIPDSA-N 1 0 560.739 5.439 50 0 KKAARO CCn1c2ccccc2c2ccc(NC(=O)CCC(=O)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)cc21 ZINC000033356851 553945110 /nfs/dbraw/zinc/94/51/10/553945110.db2.gz RBJDKWUWIGFTQQ-UHFFFAOYSA-N 1 0 548.691 5.780 50 0 KKAARO O=[S@](c1ccc(Br)cc1)C1=CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973093 553968238 /nfs/dbraw/zinc/96/82/38/553968238.db2.gz VZJRWPXCSPXDLK-XIFFEERXSA-N 1 0 530.478 7.037 50 0 KKAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+](C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033724991 553970427 /nfs/dbraw/zinc/97/04/27/553970427.db2.gz QCUBHRHQAWVDBA-MHZLTWQESA-N 1 0 503.618 5.046 50 0 KKAARO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681883 553985074 /nfs/dbraw/zinc/98/50/74/553985074.db2.gz BGXIWZFATUKMDG-HKBQPEDESA-N 1 0 520.677 6.719 50 0 KKAARO COc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682594 553985507 /nfs/dbraw/zinc/98/55/07/553985507.db2.gz BEGSWOYBUIIEDG-UHFFFAOYSA-N 1 0 510.609 6.938 50 0 KKAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682838 553985621 /nfs/dbraw/zinc/98/56/21/553985621.db2.gz KRFANBMDQCFILY-UHFFFAOYSA-N 1 0 508.590 5.172 50 0 KKAARO CC(C)c1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000034683676 553985954 /nfs/dbraw/zinc/98/59/54/553985954.db2.gz YOKATFIASOLYAL-UHFFFAOYSA-N 1 0 501.067 6.462 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000034698845 553991508 /nfs/dbraw/zinc/99/15/08/553991508.db2.gz STXAROWYFGXHNX-ZUKKLESISA-N 1 0 514.685 6.833 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698833 553991586 /nfs/dbraw/zinc/99/15/86/553991586.db2.gz QLKVBXMNISXUHE-VIZCGCQYSA-N 1 0 528.668 6.554 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034698407 553991603 /nfs/dbraw/zinc/99/16/03/553991603.db2.gz VKQHZIOKWUMCDC-KCWPFWIISA-N 1 0 511.563 5.523 50 0 KKAARO Cc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699131 553991806 /nfs/dbraw/zinc/99/18/06/553991806.db2.gz HTDMDWOPRKQETE-CUBQBAPOSA-N 1 0 530.606 7.068 50 0 KKAARO COc1cc(/C=C/C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)c1OC ZINC000097981057 553991885 /nfs/dbraw/zinc/99/18/85/553991885.db2.gz QYZYVFHHHAUMJI-WCWDXBQESA-N 1 0 688.935 7.686 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699121 553991984 /nfs/dbraw/zinc/99/19/84/553991984.db2.gz XFOAKDYXTUUMFD-YIXXDRMTSA-N 1 0 515.595 6.197 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699123 553991998 /nfs/dbraw/zinc/99/19/98/553991998.db2.gz CWSPZNYWOHJHMV-ZEQKJWHPSA-N 1 0 518.620 6.920 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)ccc1O ZINC000034698853 553992035 /nfs/dbraw/zinc/99/20/35/553992035.db2.gz SCGLQMVMNRDULQ-VIZCGCQYSA-N 1 0 530.684 6.539 50 0 KKAARO COc1ccccc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699146 553992469 /nfs/dbraw/zinc/99/24/69/553992469.db2.gz WBRNZEMHVSKXTL-RPLLCQBOSA-N 1 0 528.590 6.620 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000034723988 553996442 /nfs/dbraw/zinc/99/64/42/553996442.db2.gz UQJJXYIKUKFGTR-UHFFFAOYSA-N 1 0 519.089 5.267 50 0 KKAARO CC(C)N(C(=O)COc1cccc(Br)c1)C1(C(=O)Nc2ccc(F)cc2)CC[NH+](C(C)C)CC1 ZINC000097982276 554000590 /nfs/dbraw/zinc/00/05/90/554000590.db2.gz HJCYAWSRDASQOR-UHFFFAOYSA-N 1 0 534.470 5.086 50 0 KKAARO COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000034786045 554004416 /nfs/dbraw/zinc/00/44/16/554004416.db2.gz SPGLHKKJXGYBMW-UHFFFAOYSA-N 1 0 528.579 5.241 50 0 KKAARO CCCCOc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034814870 554011899 /nfs/dbraw/zinc/01/18/99/554011899.db2.gz WWNHNOFSTTYHLZ-UHFFFAOYSA-N 1 0 517.718 5.554 50 0 KKAARO CCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](CC)CC2)CC(C)C)cc1 ZINC000034829539 554012245 /nfs/dbraw/zinc/01/22/45/554012245.db2.gz PGMODUPARGMBBA-UHFFFAOYSA-N 1 0 515.746 5.964 50 0 KKAARO CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830430 554015757 /nfs/dbraw/zinc/01/57/57/554015757.db2.gz TWMAHXODAVPQFG-BTYSJIOQSA-N 1 0 515.723 5.330 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000034832168 554017956 /nfs/dbraw/zinc/01/79/56/554017956.db2.gz PSYRMSNSTGOWBN-FQEVSTJZSA-N 1 0 527.088 5.948 50 0 KKAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034832194 554017975 /nfs/dbraw/zinc/01/79/75/554017975.db2.gz RZBFNMOXNKCMCJ-QFIPXVFZSA-N 1 0 506.670 5.603 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Nc1ccc(C)cc1 ZINC000034832196 554018001 /nfs/dbraw/zinc/01/80/01/554018001.db2.gz MNLGMWWRHQKHFP-JOCHJYFZSA-N 1 0 506.670 5.603 50 0 KKAARO COc1ccccc1-c1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034834088 554018598 /nfs/dbraw/zinc/01/85/98/554018598.db2.gz BWKGHZPAHSEAMT-UHFFFAOYSA-N 1 0 505.622 5.276 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034834224 554018607 /nfs/dbraw/zinc/01/86/07/554018607.db2.gz UJMFBJXAVLPGTK-FQEVSTJZSA-N 1 0 520.077 5.966 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)CSc1ccccc1 ZINC000034834682 554018904 /nfs/dbraw/zinc/01/89/04/554018904.db2.gz IGUAPGVNZKCQGP-UHFFFAOYSA-N 1 0 505.732 5.100 50 0 KKAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834999 554019308 /nfs/dbraw/zinc/01/93/08/554019308.db2.gz QYGLCGAGTYMGDE-XMMPIXPASA-N 1 0 515.746 6.061 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899134 554023858 /nfs/dbraw/zinc/02/38/58/554023858.db2.gz SXXSYXTZECCWKB-IRXDYDNUSA-N 1 0 516.530 5.645 50 0 KKAARO CCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)CC2)cc1 ZINC000034912338 554029359 /nfs/dbraw/zinc/02/93/59/554029359.db2.gz KXPISCZTZCRWEW-SSEXGKCCSA-N 1 0 501.715 5.540 50 0 KKAARO FC(F)(Cl)Oc1ccc(Nc2nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)nc(N3CCCCCC3)n2)cc1 ZINC000098005055 554056467 /nfs/dbraw/zinc/05/64/67/554056467.db2.gz VGVSDELDMKEKSF-UHFFFAOYSA-N 1 0 588.147 6.254 50 0 KKAARO O=C(c1nn2c(nc(-c3ccc(Br)o3)cc2C(F)(F)F)c1Br)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005773 554058533 /nfs/dbraw/zinc/05/85/33/554058533.db2.gz FEYISGXBYJYJJY-UHFFFAOYSA-N 1 0 657.329 6.260 50 0 KKAARO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005994 554060264 /nfs/dbraw/zinc/06/02/64/554060264.db2.gz KMHYZAIQYYMDLL-RIHOBDQLSA-N 1 0 543.634 5.279 50 0 KKAARO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006283 554061111 /nfs/dbraw/zinc/06/11/11/554061111.db2.gz AYVCODBACZNFIJ-AXWVQCKLSA-N 1 0 573.660 5.287 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000098009753 554070793 /nfs/dbraw/zinc/07/07/93/554070793.db2.gz ADWYSNHFZBIESM-NEEKEDPPSA-N 1 0 544.183 7.800 50 0 KKAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000035768865 554072165 /nfs/dbraw/zinc/07/21/65/554072165.db2.gz VAXWGXSHPQDZSQ-LJAQVGFWSA-N 1 0 511.666 5.441 50 0 KKAARO Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1 ZINC000035774036 554073563 /nfs/dbraw/zinc/07/35/63/554073563.db2.gz GIAXUNCCFUPFTE-UHFFFAOYSA-N 1 0 528.093 5.616 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccccc2F)s1 ZINC000035808161 554076745 /nfs/dbraw/zinc/07/67/45/554076745.db2.gz MHUIJCXLUFHSNG-UHFFFAOYSA-N 1 0 511.638 5.102 50 0 KKAARO Cc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCCCC3)c3cccc(Cl)c3)c3ccccc32)cc1 ZINC000035815830 554078704 /nfs/dbraw/zinc/07/87/04/554078704.db2.gz XEIQSCQBRWVLQI-LJAQVGFWSA-N 1 0 514.113 6.776 50 0 KKAARO COc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000035836014 554080052 /nfs/dbraw/zinc/08/00/52/554080052.db2.gz AZKAXNYKMNVODI-QHCPKHFHSA-N 1 0 526.559 6.007 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]O2)cc1 ZINC000035835978 554080162 /nfs/dbraw/zinc/08/01/62/554080162.db2.gz NQTIPHAAKWSMGI-AREMUKBSSA-N 1 0 500.599 5.157 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842589 554080875 /nfs/dbraw/zinc/08/08/75/554080875.db2.gz KMHSFFQWXINQFH-GDLZYMKVSA-N 1 0 535.773 5.781 50 0 KKAARO CC(C)OC[C@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842640 554081131 /nfs/dbraw/zinc/08/11/31/554081131.db2.gz BPNXIFHZGWCPJN-MUUNZHRXSA-N 1 0 521.746 5.533 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842601 554081179 /nfs/dbraw/zinc/08/11/79/554081179.db2.gz HZKZHBPVVRKOIZ-SSEXGKCCSA-N 1 0 521.746 5.392 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842619 554081212 /nfs/dbraw/zinc/08/12/12/554081212.db2.gz WUYSFEDQZKUSDD-GDLZYMKVSA-N 1 0 535.773 5.925 50 0 KKAARO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@H]23)c1 ZINC000035871976 554086415 /nfs/dbraw/zinc/08/64/15/554086415.db2.gz YAFRJORLWKGUDR-AHKZPQOWSA-N 1 0 509.572 5.258 50 0 KKAARO CCn1cc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872301 554086670 /nfs/dbraw/zinc/08/66/70/554086670.db2.gz JBVGZJKDSZZNLC-PMERELPUSA-N 1 0 525.693 5.981 50 0 KKAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098012454 554090852 /nfs/dbraw/zinc/09/08/52/554090852.db2.gz UXQZAOUPAXKGFG-YTTGMZPUSA-N 1 0 583.758 5.012 50 0 KKAARO Nc1c2c(nn1-c1ccccc1Cl)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929954 554101670 /nfs/dbraw/zinc/10/16/70/554101670.db2.gz UAFDNQMNNUQTNA-UHFFFAOYSA-N 1 0 514.008 5.179 50 0 KKAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)CSc1ccccc1 ZINC000035954231 554107905 /nfs/dbraw/zinc/10/79/05/554107905.db2.gz HBQSSLKCUAUSDG-UHFFFAOYSA-N 1 0 523.722 5.239 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000098019717 554114193 /nfs/dbraw/zinc/11/41/93/554114193.db2.gz PVQUOMAJGBJYIP-UHFFFAOYSA-N 1 0 582.141 5.458 50 0 KKAARO C[NH+](C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000098019870 554115069 /nfs/dbraw/zinc/11/50/69/554115069.db2.gz IHDPHBAPJQQVQX-UHFFFAOYSA-N 1 0 618.847 7.238 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000036007039 554131923 /nfs/dbraw/zinc/13/19/23/554131923.db2.gz OQFWWIRRRIUULW-TYZGFQJPSA-N 1 0 525.649 6.584 50 0 KKAARO CN(c1ccc(NC(=O)C2CC2)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000036015633 554135745 /nfs/dbraw/zinc/13/57/45/554135745.db2.gz NXVVSIBYOJRWLA-UHFFFAOYSA-N 1 0 535.708 6.071 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(C)C)cc2)cc1 ZINC000036046198 554153770 /nfs/dbraw/zinc/15/37/70/554153770.db2.gz ZGEWMHDFEZDNJM-UHFFFAOYSA-N 1 0 523.681 5.614 50 0 KKAARO CC[NH+]1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)cc3)n2)CC1 ZINC000036049760 554156355 /nfs/dbraw/zinc/15/63/55/554156355.db2.gz ACPJJZXKCBRVJT-UHFFFAOYSA-N 1 0 503.716 5.306 50 0 KKAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048101 554159526 /nfs/dbraw/zinc/15/95/26/554159526.db2.gz PHPOHBBGAQAXPU-IBGZPJMESA-N 1 0 596.250 5.197 50 0 KKAARO CC1CC[NH+](C[C@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1 ZINC000098048111 554159533 /nfs/dbraw/zinc/15/95/33/554159533.db2.gz RBMPCJVIUXACPX-KRWDZBQOSA-N 1 0 574.244 5.097 50 0 KKAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000098048147 554159949 /nfs/dbraw/zinc/15/99/49/554159949.db2.gz ZFNNOETYDZOEEA-MUUNZHRXSA-N 1 0 541.692 5.045 50 0 KKAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098050487 554174996 /nfs/dbraw/zinc/17/49/96/554174996.db2.gz BGTKHNYTCPBHRG-SFHVURJKSA-N 1 0 582.223 5.154 50 0 KKAARO COCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036145492 554197687 /nfs/dbraw/zinc/19/76/87/554197687.db2.gz PEKUHDRXMSRTHO-UHFFFAOYSA-N 1 0 501.623 5.538 50 0 KKAARO CCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)cc1 ZINC000036167682 554200003 /nfs/dbraw/zinc/20/00/03/554200003.db2.gz SRZHKCUJXDUPQR-UHFFFAOYSA-N 1 0 501.623 6.002 50 0 KKAARO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3ccccc3C)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203193 554201281 /nfs/dbraw/zinc/20/12/81/554201281.db2.gz INJLQJGIFXVUKB-PMERELPUSA-N 1 0 527.661 6.071 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036301730 554211933 /nfs/dbraw/zinc/21/19/33/554211933.db2.gz VTDPTGBEPFXRNC-RUZDIDTESA-N 1 0 500.083 6.118 50 0 KKAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302272 554212218 /nfs/dbraw/zinc/21/22/18/554212218.db2.gz LOYLZFDKLVZFJM-MUUNZHRXSA-N 1 0 527.665 5.771 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036303434 554213243 /nfs/dbraw/zinc/21/32/43/554213243.db2.gz HKQGNEHQNXNDKF-HHHXNRCGSA-N 1 0 517.645 6.154 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304266 554214300 /nfs/dbraw/zinc/21/43/00/554214300.db2.gz KYAXCRBSMHULSO-SANMLTNESA-N 1 0 503.593 6.067 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305193 554215017 /nfs/dbraw/zinc/21/50/17/554215017.db2.gz AUWCUDOATMYMCH-VWLOTQADSA-N 1 0 518.057 6.185 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307271 554215833 /nfs/dbraw/zinc/21/58/33/554215833.db2.gz IXQVZYSKMBTJRB-MHZLTWQESA-N 1 0 515.629 5.808 50 0 KKAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307249 554215939 /nfs/dbraw/zinc/21/59/39/554215939.db2.gz FJVGAVQSDAUGSC-ZCYQVOJMSA-N 1 0 511.638 5.176 50 0 KKAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036308866 554216523 /nfs/dbraw/zinc/21/65/23/554216523.db2.gz JUYMECFYFTYQJZ-UHSQPCAPSA-N 1 0 536.738 5.276 50 0 KKAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309401 554217116 /nfs/dbraw/zinc/21/71/16/554217116.db2.gz XTIWKHOZTQKLTP-XCZPVHLTSA-N 1 0 536.738 5.159 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316072 554219588 /nfs/dbraw/zinc/21/95/88/554219588.db2.gz USSMCBOWIAXEKC-AHWVRZQESA-N 1 0 507.675 5.345 50 0 KKAARO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344499 554223347 /nfs/dbraw/zinc/22/33/47/554223347.db2.gz LSWNULRDNMJVOH-GDLZYMKVSA-N 1 0 515.629 5.475 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344484 554223431 /nfs/dbraw/zinc/22/34/31/554223431.db2.gz NMLIVVFSGBPTLA-LJAQVGFWSA-N 1 0 527.665 5.345 50 0 KKAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120830 554224137 /nfs/dbraw/zinc/22/41/37/554224137.db2.gz WRJVFYCWAFKQGZ-LJAQVGFWSA-N 1 0 533.697 5.877 50 0 KKAARO CCn1c(=O)/c(=C\C=C2\C=CN(CC)c3ccccc32)s/c1=C/c1sc(-c2ccccc2)c(-c2ccccc2)[n+]1CC ZINC000100191916 554244876 /nfs/dbraw/zinc/24/48/76/554244876.db2.gz NIBDUJOINXBUGE-NEIRUPRHSA-N 1 0 588.822 6.679 50 0 KKAARO O=C(Nc1cccc(Cl)c1)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037525635 554250636 /nfs/dbraw/zinc/25/06/36/554250636.db2.gz XNCLMZKZPICNMV-UHFFFAOYSA-N 1 0 538.136 5.611 50 0 KKAARO CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+]4CCCC4)o3)cc2[C@@H]1c1ccccc1 ZINC000037605258 554256798 /nfs/dbraw/zinc/25/67/98/554256798.db2.gz PIAFIGDRBAWFBQ-LJAQVGFWSA-N 1 0 529.681 5.204 50 0 KKAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1C ZINC000038139144 554259355 /nfs/dbraw/zinc/25/93/55/554259355.db2.gz WWIMMOCOFTZKBQ-UHFFFAOYSA-N 1 0 562.761 5.259 50 0 KKAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2c(cccc2Cl)s1 ZINC000038139155 554259387 /nfs/dbraw/zinc/25/93/87/554259387.db2.gz KCQVYXRNFKFPRI-UHFFFAOYSA-N 1 0 555.125 5.300 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2ccccc2Cl)CC1 ZINC000038139261 554259920 /nfs/dbraw/zinc/25/99/20/554259920.db2.gz RFCBVMQVEGSLPW-OAQYLSRUSA-N 1 0 556.151 5.635 50 0 KKAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000038146806 554269830 /nfs/dbraw/zinc/26/98/30/554269830.db2.gz SQKDINORIMCUSU-GFBRJQHFSA-N 1 0 533.669 5.005 50 0 KKAARO CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]([NH+]3CCCCC3)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000043758067 554299426 /nfs/dbraw/zinc/29/94/26/554299426.db2.gz LDLFMTWFFWGZLY-RHYYTEBESA-N 1 0 511.835 8.424 50 0 KKAARO COC(=O)c1ccc(Sc2ccc(OCCC[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000045068823 554311237 /nfs/dbraw/zinc/31/12/37/554311237.db2.gz LBNIQBNIEYWCJQ-UHFFFAOYSA-N 1 0 511.087 5.865 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000049625580 554324204 /nfs/dbraw/zinc/32/42/04/554324204.db2.gz SQHWUCVCWKDAIS-QOEKSOTFSA-N 1 0 541.739 6.976 50 0 KKAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1 ZINC000050861787 554328072 /nfs/dbraw/zinc/32/80/72/554328072.db2.gz XLYPXIROCKLHME-UHFFFAOYSA-N 1 0 528.041 5.563 50 0 KKAARO CCOc1c(Br)cc([C@@H]2[NH2+]C[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356903 554344888 /nfs/dbraw/zinc/34/48/88/554344888.db2.gz CEYLFJGEHUEGAU-CLOONOSVSA-N 1 0 537.454 6.179 50 0 KKAARO COc1cc([C@H]2[NH2+]C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356150 554345025 /nfs/dbraw/zinc/34/50/25/554345025.db2.gz SBJYLUVEUBELOW-NLGDKJDOSA-N 1 0 552.074 6.980 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000053371815 554348107 /nfs/dbraw/zinc/34/81/07/554348107.db2.gz TXKVTAKWTSZFNW-KDXMTYKHSA-N 1 0 564.151 6.052 50 0 KKAARO COc1ccc([C@H]2C[NH2+][C@@](C)(c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390750 554348735 /nfs/dbraw/zinc/34/87/35/554348735.db2.gz IALDDJYIZAGUBA-NSJVFKKDSA-N 1 0 537.685 6.284 50 0 KKAARO COc1ccc([C@@H]2C[NH2+][C@@](C)(c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390744 554348745 /nfs/dbraw/zinc/34/87/45/554348745.db2.gz IALDDJYIZAGUBA-IUDBTDONSA-N 1 0 537.685 6.284 50 0 KKAARO COc1cccc(OCC[NH+]2CCN(c3cc(C(C)(C)C)nc4c(-c5ccc(Cl)cc5)c(C)nn43)CC2)c1 ZINC000054274636 554349154 /nfs/dbraw/zinc/34/91/54/554349154.db2.gz GKXCUHLZOUHGLH-UHFFFAOYSA-N 1 0 534.104 5.865 50 0 KKAARO O=C(/C=C/c1cccs1)N1CCC(Oc2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055035898 554349852 /nfs/dbraw/zinc/34/98/52/554349852.db2.gz YUJPUMZPNPRWND-ZHACJKMWSA-N 1 0 522.114 5.807 50 0 KKAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000057222732 554352658 /nfs/dbraw/zinc/35/26/58/554352658.db2.gz FGZTYYNDJVABEF-UHFFFAOYSA-N 1 0 509.606 5.210 50 0 KKAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3)CC1 ZINC000059503767 554399786 /nfs/dbraw/zinc/39/97/86/554399786.db2.gz GYZPVZJUMXWBLB-UHFFFAOYSA-N 1 0 549.140 5.409 50 0 KKAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059932652 554481876 /nfs/dbraw/zinc/48/18/76/554481876.db2.gz YOTKJXYNGWBHAW-GHQHKEJXSA-N 1 0 527.624 5.471 50 0 KKAARO c1ccc([C@@H]2CC[C@@H](c3ccccc3)P2CC[PH+]2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1 ZINC000060290818 554504926 /nfs/dbraw/zinc/50/49/26/554504926.db2.gz VHHAZLMVLLIMHT-CUPIEXAXSA-N 1 0 506.610 10.503 50 0 KKAARO CN(C)c1ccc(C[NH+](CCCc2nc(-c3ccccc3)no2)CCCc2nc(-c3ccccc3)no2)cn1 ZINC000062613768 554507443 /nfs/dbraw/zinc/50/74/43/554507443.db2.gz NFQVRDOWNKIVKQ-UHFFFAOYSA-N 1 0 523.641 5.315 50 0 KKAARO O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000100927858 554525000 /nfs/dbraw/zinc/52/50/00/554525000.db2.gz XCXCTADEDYBQGZ-OHXOMFROSA-N 1 0 512.997 5.094 50 0 KKAARO CCC[C@@H](OC)c1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000067664826 554532685 /nfs/dbraw/zinc/53/26/85/554532685.db2.gz QDIGHYCNRQYPFR-JOCHJYFZSA-N 1 0 675.345 7.081 50 0 in-vitro KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976805 554547014 /nfs/dbraw/zinc/54/70/14/554547014.db2.gz JYAMMINFLKKSNR-CGVHCUEWSA-N 1 0 541.623 6.477 50 0 KKAARO COc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100984866 554548191 /nfs/dbraw/zinc/54/81/91/554548191.db2.gz ZOCDJIMMLAXSPZ-TYZGFQJPSA-N 1 0 542.104 7.098 50 0 KKAARO COc1cc(Br)cc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000100989574 554549964 /nfs/dbraw/zinc/54/99/64/554549964.db2.gz PDBWOFPXERRCHW-VWLOTQADSA-N 1 0 552.900 6.647 50 0 KKAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009615 554557213 /nfs/dbraw/zinc/55/72/13/554557213.db2.gz RADVIKCJDOXKSC-CONSDPRKSA-N 1 0 571.718 5.184 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)c(C)c1 ZINC000101052917 554568905 /nfs/dbraw/zinc/56/89/05/554568905.db2.gz JOEOKJXDNKQEDK-LJAQVGFWSA-N 1 0 559.761 5.065 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccsc2)c(C)c1 ZINC000101052896 554568929 /nfs/dbraw/zinc/56/89/29/554568929.db2.gz RNQBQOYYZHSDBW-LJAQVGFWSA-N 1 0 559.761 5.065 50 0 KKAARO COc1cc(C(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052864 554568966 /nfs/dbraw/zinc/56/89/66/554568966.db2.gz SZMIGQJOVZYKPA-SANMLTNESA-N 1 0 568.714 6.429 50 0 KKAARO CCC[NH+](CCC)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205607 554675656 /nfs/dbraw/zinc/67/56/56/554675656.db2.gz VDXHCKMKWHECCU-PWRLTIQESA-N 1 0 614.787 5.139 50 0 biogenic KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216658 554684276 /nfs/dbraw/zinc/68/42/76/554684276.db2.gz MPWSXRLDQCEBNO-AREMUKBSSA-N 1 0 606.620 5.141 50 0 KKAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226200 554688938 /nfs/dbraw/zinc/68/89/38/554688938.db2.gz AUOGLTMBIUTBKX-JSOSNVBQSA-N 1 0 543.683 5.553 50 0 KKAARO Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000101248994 554693835 /nfs/dbraw/zinc/69/38/35/554693835.db2.gz OEMUXOVXFUZAJT-UHFFFAOYSA-N 1 0 533.957 5.717 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254791 554695462 /nfs/dbraw/zinc/69/54/62/554695462.db2.gz GJSMFBIFWMGJEU-HKBQPEDESA-N 1 0 599.801 5.014 50 0 KKAARO O=C(C[C@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254889 554695876 /nfs/dbraw/zinc/69/58/76/554695876.db2.gz OFHKWQNSBJRKHM-NDEPHWFRSA-N 1 0 610.611 5.532 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254840 554695882 /nfs/dbraw/zinc/69/58/82/554695882.db2.gz HRRJHFLXBYGZKG-HKBQPEDESA-N 1 0 617.791 5.153 50 0 KKAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3n2)CC1 ZINC000101301811 554713849 /nfs/dbraw/zinc/71/38/49/554713849.db2.gz FZWFHQIPQJMEJE-UHFFFAOYSA-N 1 0 537.664 5.835 50 0 KKAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000101341115 554735243 /nfs/dbraw/zinc/73/52/43/554735243.db2.gz UCFQKCDRLWOBKQ-PMERELPUSA-N 1 0 565.805 5.306 50 0 KKAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352080 554738512 /nfs/dbraw/zinc/73/85/12/554738512.db2.gz QPMUFZKJDCOFFJ-SZAHLOSFSA-N 1 0 581.757 5.658 50 0 KKAARO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101360939 554742530 /nfs/dbraw/zinc/74/25/30/554742530.db2.gz CTAVPFGAWVEDFC-RJYGDKEGSA-N 1 0 535.644 5.052 50 0 KKAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2N(C)C1=O ZINC000101373307 554745173 /nfs/dbraw/zinc/74/51/73/554745173.db2.gz FQKXBXAJODFJOO-UQRQXUALSA-N 1 0 555.744 5.879 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000101378452 554747456 /nfs/dbraw/zinc/74/74/56/554747456.db2.gz ICIIJZSWXYZDKU-NEKDWFFYSA-N 1 0 554.131 6.015 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@@H+]4CCCC[C@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000101378453 554747514 /nfs/dbraw/zinc/74/75/14/554747514.db2.gz ICIIJZSWXYZDKU-QDPGVEIFSA-N 1 0 554.131 6.015 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386145 554751142 /nfs/dbraw/zinc/75/11/42/554751142.db2.gz ZQXVFZVLCKCNRN-DHIFEGFHSA-N 1 0 555.767 5.766 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386127 554751253 /nfs/dbraw/zinc/75/12/53/554751253.db2.gz AZJGLKSQJNWUGV-NSJVFKKDSA-N 1 0 582.745 6.340 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386197 554751450 /nfs/dbraw/zinc/75/14/50/554751450.db2.gz LINHNLOWQAVSJX-CVYDZTKKSA-N 1 0 640.800 6.894 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391665 554755201 /nfs/dbraw/zinc/75/52/01/554755201.db2.gz KDGHVVLSQKCCOI-GRKNLSHJSA-N 1 0 543.067 5.173 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391804 554755686 /nfs/dbraw/zinc/75/56/86/554755686.db2.gz ZRXMRYXHPCGGLA-XRKRLSELSA-N 1 0 529.482 5.414 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000101416363 554765384 /nfs/dbraw/zinc/76/53/84/554765384.db2.gz QTPIRISVPQRERJ-KSXZBKJASA-N 1 0 547.696 5.251 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416264 554765394 /nfs/dbraw/zinc/76/53/94/554765394.db2.gz JYEBJRKQXHXRCT-ZEQRLZLVSA-N 1 0 573.759 5.394 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000101416853 554765811 /nfs/dbraw/zinc/76/58/11/554765811.db2.gz SWLGKGSICQTMQM-USYZEHPZSA-N 1 0 609.767 6.227 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000101417028 554765933 /nfs/dbraw/zinc/76/59/33/554765933.db2.gz YPGCWIYOCXAJNM-UHFFFAOYSA-N 1 0 561.748 5.414 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)CC(C)C ZINC000101455531 554777205 /nfs/dbraw/zinc/77/72/05/554777205.db2.gz CLBJMNRANQMNSX-LDLOPFEMSA-N 1 0 545.749 5.748 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)CC(C)C ZINC000101455535 554777209 /nfs/dbraw/zinc/77/72/09/554777209.db2.gz CLBJMNRANQMNSX-KDXMTYKHSA-N 1 0 545.749 5.748 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506260 554789882 /nfs/dbraw/zinc/78/98/82/554789882.db2.gz ZCXMYTBJPFHNHU-UOZKZNBHSA-N 1 0 630.858 6.921 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCCCCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000101506536 554790379 /nfs/dbraw/zinc/79/03/79/554790379.db2.gz PRHVFPJWIANYKA-VAMRJTSQSA-N 1 0 539.745 6.671 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506521 554790519 /nfs/dbraw/zinc/79/05/19/554790519.db2.gz NIHYNGUITOSPAO-ZQVBFGMRSA-N 1 0 567.799 7.366 50 0 KKAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)CC3)s2)cc1 ZINC000101575709 554799087 /nfs/dbraw/zinc/79/90/87/554799087.db2.gz WPOFVBOWBNFAQY-UHFFFAOYSA-N 1 0 615.848 5.973 50 0 KKAARO COc1cccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603895 554804780 /nfs/dbraw/zinc/80/47/80/554804780.db2.gz VTZDGGPXLGGHMY-AREMUKBSSA-N 1 0 538.688 6.420 50 0 KKAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617760 554806339 /nfs/dbraw/zinc/80/63/39/554806339.db2.gz MRCUCPRDJPJKLX-IHLOFXLRSA-N 1 0 545.749 6.516 50 0 KKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000101633152 554812095 /nfs/dbraw/zinc/81/20/95/554812095.db2.gz LXRXJFXGOORNGD-UHFFFAOYSA-N 1 0 543.643 5.077 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3)C2=O)c1 ZINC000101637474 554813644 /nfs/dbraw/zinc/81/36/44/554813644.db2.gz DFDLSBVZWQFJSS-QNKGDIEWSA-N 1 0 569.815 7.409 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637780 554813855 /nfs/dbraw/zinc/81/38/55/554813855.db2.gz WFXKCVPDCZYZLV-UHFFFAOYSA-N 1 0 582.166 5.965 50 0 KKAARO O=C(Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)[C@H]1C[C@H]1c1ccccc1 ZINC000101661547 554821870 /nfs/dbraw/zinc/82/18/70/554821870.db2.gz WFFJKQLSEQIELF-XCZPVHLTSA-N 1 0 532.610 6.294 50 0 KKAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670782 554824233 /nfs/dbraw/zinc/82/42/33/554824233.db2.gz RPUKYEYTCDNLPT-MVPDCNEZSA-N 1 0 563.416 5.090 50 0 KKAARO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101671870 554825467 /nfs/dbraw/zinc/82/54/67/554825467.db2.gz ZMFOJBQXCKGMBF-UOWMXVQPSA-N 1 0 584.628 5.602 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000101739785 554833897 /nfs/dbraw/zinc/83/38/97/554833897.db2.gz NQMGBMCNHKPPGX-UHFFFAOYSA-N 1 0 571.766 5.998 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000101810473 554839505 /nfs/dbraw/zinc/83/95/05/554839505.db2.gz SCJKSITWCJNGNQ-RRPNLBNLSA-N 1 0 525.624 5.381 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843158 554842953 /nfs/dbraw/zinc/84/29/53/554842953.db2.gz DFSIEZWLZUDNIX-KYJUHHDHSA-N 1 0 544.765 5.009 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC000101843173 554843057 /nfs/dbraw/zinc/84/30/57/554843057.db2.gz WQHUCHLZOUDQRA-FQLXRVMXSA-N 1 0 548.728 5.152 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101868653 554845410 /nfs/dbraw/zinc/84/54/10/554845410.db2.gz WUUGDKFERAXQGA-UHFFFAOYSA-N 1 0 577.770 5.858 50 0 KKAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869481 554845424 /nfs/dbraw/zinc/84/54/24/554845424.db2.gz KNYGIGLBZAWRPH-UHFFFAOYSA-N 1 0 545.753 5.323 50 0 KKAARO C[N@H+](Cc1ccc(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000101956325 554853269 /nfs/dbraw/zinc/85/32/69/554853269.db2.gz JCUSVCKJHRLVMI-UHFFFAOYSA-N 1 0 547.621 6.498 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979736 554863665 /nfs/dbraw/zinc/86/36/65/554863665.db2.gz DMQULUAMPQQQQA-KYJUHHDHSA-N 1 0 542.749 5.300 50 0 KKAARO C(=C/C1=C/C(=C/C=C2\Sc3ccccc3N2CCc2ccccc2)CCC1)\c1sc2ccccc2[n+]1CCc1ccccc1 ZINC000102042253 554869711 /nfs/dbraw/zinc/86/97/11/554869711.db2.gz FALFFEKHOGTXGG-UHFFFAOYSA-N 1 0 609.884 10.178 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000102045825 554870044 /nfs/dbraw/zinc/87/00/44/554870044.db2.gz QCECIXKHGRSZJC-FKAPRUDGSA-N 1 0 543.727 6.986 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098976 554880687 /nfs/dbraw/zinc/88/06/87/554880687.db2.gz RVTLWFPADAOMIX-LEAFIULHSA-N 1 0 562.598 7.738 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099668 554881210 /nfs/dbraw/zinc/88/12/10/554881210.db2.gz WWGVJAPQMASXGF-HSZRJFAPSA-N 1 0 556.482 5.854 50 0 KKAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099484 554881220 /nfs/dbraw/zinc/88/12/20/554881220.db2.gz XYWXOMDWPDAYOM-QFIPXVFZSA-N 1 0 542.455 5.545 50 0 KKAARO Cc1ccccc1OC[C@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102985 554882059 /nfs/dbraw/zinc/88/20/59/554882059.db2.gz QKIXGMXKLACKEF-JGCGQSQUSA-N 1 0 583.817 6.743 50 0 KKAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)COCc1ccccc1 ZINC000102104401 554882392 /nfs/dbraw/zinc/88/23/92/554882392.db2.gz HMFQKLPQKMUUQF-MHZLTWQESA-N 1 0 535.635 6.287 50 0 KKAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000102129857 554884661 /nfs/dbraw/zinc/88/46/61/554884661.db2.gz RJTCUAYJLZALDO-UHFFFAOYSA-N 1 0 606.211 6.325 50 0 KKAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(-c4ccc(C)c(C)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102130674 554885248 /nfs/dbraw/zinc/88/52/48/554885248.db2.gz NDSBPPVSWBQJPO-UHFFFAOYSA-N 1 0 629.846 6.297 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136029 554887786 /nfs/dbraw/zinc/88/77/86/554887786.db2.gz PFYCXLBTXSSNCF-NEKDWFFYSA-N 1 0 541.589 5.531 50 0 KKAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c2ccccc12 ZINC000102169366 554891215 /nfs/dbraw/zinc/89/12/15/554891215.db2.gz OVDSDONBEACVRO-UHSQPCAPSA-N 1 0 572.105 5.322 50 0 KKAARO CCCCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)s2)cc1 ZINC000102220234 554898684 /nfs/dbraw/zinc/89/86/84/554898684.db2.gz ZICZSRXUBRJUQF-UHFFFAOYSA-N 1 0 572.804 6.677 50 0 KKAARO COc1ccc(-c2ccccc2)cc1NC(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000102253154 554904040 /nfs/dbraw/zinc/90/40/40/554904040.db2.gz BNKBIOUYEQDIFR-BHBYDHKZSA-N 1 0 548.127 5.957 50 0 KKAARO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102300126 554908464 /nfs/dbraw/zinc/90/84/64/554908464.db2.gz YZSPBYUEUJMJPA-QVWWMRLHSA-N 1 0 559.154 6.124 50 0 KKAARO Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@H](C)c3nccs3)CC2)c1C ZINC000102334720 554912635 /nfs/dbraw/zinc/91/26/35/554912635.db2.gz IZLXPIFRTREFSB-HSZRJFAPSA-N 1 0 546.762 6.067 50 0 KKAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000102415015 554924549 /nfs/dbraw/zinc/92/45/49/554924549.db2.gz JDELCIKPOLKRNC-XZWHSSHBSA-N 1 0 577.725 5.739 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462454 554935336 /nfs/dbraw/zinc/93/53/36/554935336.db2.gz VPDWQCSGRSINMO-BSKIJULFSA-N 1 0 595.393 8.497 50 0 KKAARO C[n+]1c(-c2ccccc2)cc(-c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1-c1ccccc1 ZINC000102579854 554972061 /nfs/dbraw/zinc/97/20/61/554972061.db2.gz CPFIGNUYUAEIPU-KDXMTYKHSA-N 1 0 542.706 8.868 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1 ZINC000102602042 554977976 /nfs/dbraw/zinc/97/79/76/554977976.db2.gz QQVTUVILUGMNRD-DQEYMECFSA-N 1 0 560.016 5.179 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1ccc(Cl)cc1 ZINC000102601692 554977989 /nfs/dbraw/zinc/97/79/89/554977989.db2.gz WYFQEWCMLOHOKT-DQEYMECFSA-N 1 0 560.016 5.179 50 0 KKAARO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102657698 554999567 /nfs/dbraw/zinc/99/95/67/554999567.db2.gz QYQDPBFSISDNBS-WCISARMNSA-N 1 0 527.624 5.417 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2)C1=O ZINC000102668328 555002176 /nfs/dbraw/zinc/00/21/76/555002176.db2.gz NXRHPAWVMZAATB-ISJDOPSVSA-N 1 0 539.745 6.527 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679319 555005025 /nfs/dbraw/zinc/00/50/25/555005025.db2.gz YDJCLCDTEXPCQE-SANMLTNESA-N 1 0 556.103 5.284 50 0 KKAARO CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)c2cccc(Cl)c2)cc1 ZINC000102683893 555006697 /nfs/dbraw/zinc/00/66/97/555006697.db2.gz CAHZLTPNMRGWTH-GDLZYMKVSA-N 1 0 580.194 6.268 50 0 KKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)C1 ZINC000102719632 555019724 /nfs/dbraw/zinc/01/97/24/555019724.db2.gz VFDAXEAIYIKFRI-LZSGNZRWSA-N 1 0 542.543 5.413 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102764070 555054366 /nfs/dbraw/zinc/05/43/66/555054366.db2.gz XZPIKJDBQVTAMP-USHMODERSA-N 1 0 534.125 6.237 50 0 KKAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000102766746 555055473 /nfs/dbraw/zinc/05/54/73/555055473.db2.gz NJXHVDFSIQYTIB-ANYBSYGZSA-N 1 0 548.152 6.628 50 0 KKAARO Fc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000102766705 555055547 /nfs/dbraw/zinc/05/55/47/555055547.db2.gz ZMUUQGILHLYLIZ-VSGBNLITSA-N 1 0 546.484 7.001 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc2nc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)nc2c1 ZINC000102768530 555056271 /nfs/dbraw/zinc/05/62/71/555056271.db2.gz FCENAZWDCMRCPN-UHFFFAOYSA-N 1 0 540.708 6.613 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000102779000 555065149 /nfs/dbraw/zinc/06/51/49/555065149.db2.gz FWKVKQGYOAHTOA-UQRQXUALSA-N 1 0 541.761 6.917 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102780769 555065983 /nfs/dbraw/zinc/06/59/83/555065983.db2.gz ZPTWWFUWWUIMJG-GNBVBFFASA-N 1 0 557.735 6.890 50 0 KKAARO CCCC[N@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)Cc1ccccc1 ZINC000102787432 555067999 /nfs/dbraw/zinc/06/79/99/555067999.db2.gz NGUWPIKHTGRVKC-KVQDIILNSA-N 1 0 624.250 8.442 50 0 KKAARO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2)C1=O ZINC000102787448 555068041 /nfs/dbraw/zinc/06/80/41/555068041.db2.gz OGYAOWRGUYNXCT-LZBRRTOVSA-N 1 0 616.831 6.613 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790149 555068832 /nfs/dbraw/zinc/06/88/32/555068832.db2.gz TXWJXCBOIFMYKX-XMMPIXPASA-N 1 0 563.768 5.102 50 0 KKAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000102791118 555068952 /nfs/dbraw/zinc/06/89/52/555068952.db2.gz WZHPSMDKZMIHFA-OFWBYEQRSA-N 1 0 540.733 5.042 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791618 555069251 /nfs/dbraw/zinc/06/92/51/555069251.db2.gz UMYHAAGYTFKFNZ-CVIQAZEXSA-N 1 0 553.772 7.058 50 0 KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102791923 555069260 /nfs/dbraw/zinc/06/92/60/555069260.db2.gz MACYPRSWFHEMQG-KWLUCORDSA-N 1 0 553.772 7.059 50 0 KKAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839185 555080664 /nfs/dbraw/zinc/08/06/64/555080664.db2.gz FMVBMVQXNSQGMM-MHZLTWQESA-N 1 0 542.532 5.767 50 0 KKAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000102839348 555080688 /nfs/dbraw/zinc/08/06/88/555080688.db2.gz ADXJGFRBWDYUGU-UHFFFAOYSA-N 1 0 555.563 5.699 50 0 KKAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCc1ccccc1 ZINC000103022010 555213088 /nfs/dbraw/zinc/21/30/88/555213088.db2.gz VIAUEWDTMOYEQE-SANMLTNESA-N 1 0 536.072 5.559 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3cccc(Br)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025473 555215687 /nfs/dbraw/zinc/21/56/87/555215687.db2.gz IECHRDSWGDLMSH-UHFFFAOYSA-N 1 0 542.497 5.275 50 0 KKAARO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040094 555224507 /nfs/dbraw/zinc/22/45/07/555224507.db2.gz KBOITOQUUWEKPB-NGOKVRLYSA-N 1 0 552.741 5.712 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103039999 555224527 /nfs/dbraw/zinc/22/45/27/555224527.db2.gz FWZPRJIMSLCVPB-CLYVBNDRSA-N 1 0 575.537 6.296 50 0 KKAARO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103040144 555224533 /nfs/dbraw/zinc/22/45/33/555224533.db2.gz WRQAGDADNSFIDQ-FWUCURJTSA-N 1 0 563.739 5.777 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000103043918 555227022 /nfs/dbraw/zinc/22/70/22/555227022.db2.gz FKURGPYYNHAOTB-UHFFFAOYSA-N 1 0 547.618 5.673 50 0 KKAARO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103061235 555242422 /nfs/dbraw/zinc/24/24/22/555242422.db2.gz CRAAZTDUHIJFSQ-BNHRFMORSA-N 1 0 561.767 6.331 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000103064949 555245418 /nfs/dbraw/zinc/24/54/18/555245418.db2.gz VKEFOSCWQNXSIT-YTTGMZPUSA-N 1 0 583.817 6.887 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000103072383 555252296 /nfs/dbraw/zinc/25/22/96/555252296.db2.gz CQHXEODWKVDYAN-SSEXGKCCSA-N 1 0 573.778 6.310 50 0 KKAARO COc1ccc(CN(CC[NH+](C)C)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103075515 555255220 /nfs/dbraw/zinc/25/52/20/555255220.db2.gz LHFKYYSOKWJVOA-UHFFFAOYSA-N 1 0 571.910 5.627 50 0 KKAARO CCOC(=O)c1ccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000103109473 555284562 /nfs/dbraw/zinc/28/45/62/555284562.db2.gz ZQYBLDVERXDKQT-AGUBCAFJSA-N 1 0 566.742 6.533 50 0 KKAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([NH+]3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1 ZINC000103146505 555313808 /nfs/dbraw/zinc/31/38/08/555313808.db2.gz MBRLUOZMEKATMW-UHFFFAOYSA-N 1 0 565.824 5.331 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103176371 555327460 /nfs/dbraw/zinc/32/74/60/555327460.db2.gz KCIUKKCHMJAGTE-YTTGMZPUSA-N 1 0 569.790 6.326 50 0 KKAARO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)c1 ZINC000103261537 555346720 /nfs/dbraw/zinc/34/67/20/555346720.db2.gz MDCXHEBFLRVKKV-SSEXGKCCSA-N 1 0 590.720 6.349 50 0 KKAARO COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000103269206 555348560 /nfs/dbraw/zinc/34/85/60/555348560.db2.gz IVGFQOMRCKZXED-UHFFFAOYSA-N 1 0 566.489 5.497 50 0 KKAARO COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000103278728 555350762 /nfs/dbraw/zinc/35/07/62/555350762.db2.gz UHIDOZFZKKIJFV-UHFFFAOYSA-N 1 0 565.596 5.209 50 0 KKAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000103296196 555354553 /nfs/dbraw/zinc/35/45/53/555354553.db2.gz YTMHIHHUZZYYKK-UHFFFAOYSA-N 1 0 542.646 5.519 50 0 KKAARO COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2cccc(C)c2)cc1 ZINC000103306247 555356389 /nfs/dbraw/zinc/35/63/89/555356389.db2.gz JQLCJCGDMZTSBB-UHFFFAOYSA-N 1 0 546.071 5.152 50 0 KKAARO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000103363019 555365321 /nfs/dbraw/zinc/36/53/21/555365321.db2.gz HNWYPQMPLZHZNV-IANOAQMISA-N 1 0 590.809 7.236 50 0 KKAARO O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000103409382 555395454 /nfs/dbraw/zinc/39/54/54/555395454.db2.gz ORQUPXIYXYDAJT-SSEXGKCCSA-N 1 0 577.084 5.773 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000103419209 555399391 /nfs/dbraw/zinc/39/93/91/555399391.db2.gz HMZABCSOXPZFOD-HVNZXBJASA-N 1 0 577.735 8.166 50 0 KKAARO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)NCC[NH+]1CCCC1 ZINC000103420775 555401352 /nfs/dbraw/zinc/40/13/52/555401352.db2.gz IMLBZPJYUUDNNW-MGBGTMOVSA-N 1 0 543.711 7.216 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1 ZINC000103420801 555401359 /nfs/dbraw/zinc/40/13/59/555401359.db2.gz ROMRFNMMHUQUKN-YAYIQTBWSA-N 1 0 615.862 8.726 50 0 KKAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccccc4F)n3)CC2)cc1 ZINC000103428929 555411658 /nfs/dbraw/zinc/41/16/58/555411658.db2.gz LLJSJRVSNDWMQS-UHFFFAOYSA-N 1 0 549.698 5.883 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513361 555422713 /nfs/dbraw/zinc/42/27/13/555422713.db2.gz XHJJEFWCVZUQMD-KHLUAOTOSA-N 1 0 526.592 5.677 50 0 KKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000103630413 555459822 /nfs/dbraw/zinc/45/98/22/555459822.db2.gz QTPIRISVPQRERJ-LXNVINCZSA-N 1 0 547.696 5.251 50 0 KKAARO CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4ccc(OCC[NH+]5CCCCC5)cc4)c32)C1=O ZINC000138848380 562832186 /nfs/dbraw/zinc/83/21/86/562832186.db2.gz OXNBMLGWGCJMBQ-UHFFFAOYSA-N 1 0 545.690 5.594 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169365036 562864428 /nfs/dbraw/zinc/86/44/28/562864428.db2.gz SQKDINORIMCUSU-SEYIBYQZSA-N 1 0 533.669 5.005 50 0 KKAARO COc1ccc(C2=CSC3=NC4=C(C[N@H+](C)C/C4=C\c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)cc1 ZINC000103997549 571370965 /nfs/dbraw/zinc/37/09/65/571370965.db2.gz GJVJXWVYDNIBCS-LQSCNRDHSA-N 1 0 609.645 7.639 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000104147809 571375235 /nfs/dbraw/zinc/37/52/35/571375235.db2.gz KSEILDOPDXTUFS-GUARRIROSA-N 1 0 551.131 5.202 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(Cc3cc(C)ccc3C)[C@H](C)c3ccccc3)n2)C1 ZINC000104966719 571388513 /nfs/dbraw/zinc/38/85/13/571388513.db2.gz AIPNSURLKHRODG-ILBGXUMGSA-N 1 0 503.643 5.470 50 0 KKAARO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000105061364 571391072 /nfs/dbraw/zinc/39/10/72/571391072.db2.gz LUQQPNLBSSZAGB-LXFBAYGMSA-N 1 0 501.696 5.076 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000105863849 571409060 /nfs/dbraw/zinc/40/90/60/571409060.db2.gz YZRKFWBJWMWSRQ-UEPSORHFSA-N 1 0 570.822 6.146 50 0 KKAARO O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000106419863 571412487 /nfs/dbraw/zinc/41/24/87/571412487.db2.gz KSLGMIVDLDZALJ-XMMPIXPASA-N 1 0 526.356 5.902 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccc(I)cc4c4cc(I)ccc43)CC2)cc1 ZINC000150344763 571459447 /nfs/dbraw/zinc/45/94/47/571459447.db2.gz SAGMBZVDSGRPPG-QFIPXVFZSA-N 1 0 651.330 5.495 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344813 571459477 /nfs/dbraw/zinc/45/94/77/571459477.db2.gz JLVIBXZXLSSJGK-WMPKNSHKSA-N 1 0 848.272 7.992 50 0 KKAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccc(I)cc4c4cc(I)ccc43)CC2)cc1 ZINC000150344764 571459506 /nfs/dbraw/zinc/45/95/06/571459506.db2.gz SAGMBZVDSGRPPG-JOCHJYFZSA-N 1 0 651.330 5.495 50 0 KKAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000150346458 571460496 /nfs/dbraw/zinc/46/04/96/571460496.db2.gz CHBHFXPNMOLXSG-LJAQVGFWSA-N 1 0 652.787 5.135 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150346641 571460602 /nfs/dbraw/zinc/46/06/02/571460602.db2.gz LLOMTMXQLYGCNY-PZSMLTKBSA-N 1 0 715.861 7.593 50 0 KKAARO CCOc1ccc(-c2nc(CN(Cc3csc(-c4ccc(OCC)c(OC)c4)n3)C3CC[NH+](Cc4ccccc4)CC3)cs2)cc1OC ZINC000150385760 571468964 /nfs/dbraw/zinc/46/89/64/571468964.db2.gz UDYUOQFHJILEKW-UHFFFAOYSA-N 1 0 684.928 8.415 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(CCC)cc4)c(C(F)(F)F)oc3c2C[NH+](CCC)CCC)cc1 ZINC000150388800 571471058 /nfs/dbraw/zinc/47/10/58/571471058.db2.gz BCHOYTDHTZBYGL-UHFFFAOYSA-N 1 0 681.792 10.357 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150388988 571471326 /nfs/dbraw/zinc/47/13/26/571471326.db2.gz XHOIIYVGNVQGMV-UHFFFAOYSA-N 1 0 665.793 10.187 50 0 KKAARO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389085 571471464 /nfs/dbraw/zinc/47/14/64/571471464.db2.gz KZIZGKNJCBILNH-UHFFFAOYSA-N 1 0 685.736 8.580 50 0 KKAARO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389058 571471472 /nfs/dbraw/zinc/47/14/72/571471472.db2.gz OWGMKWDHZRYUEM-UHFFFAOYSA-N 1 0 684.966 10.206 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389125 571471558 /nfs/dbraw/zinc/47/15/58/571471558.db2.gz MFDFTFSENOTRHP-UHFFFAOYSA-N 1 0 678.100 8.433 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)/C=C/c2ccccc2Cl)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389189 571471569 /nfs/dbraw/zinc/47/15/69/571471569.db2.gz XZNOQOMCPZIAQF-CXUHLZMHSA-N 1 0 662.532 9.644 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389222 571471648 /nfs/dbraw/zinc/47/16/48/571471648.db2.gz MLUDJARQLMYGFK-CXUHLZMHSA-N 1 0 672.140 9.307 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389237 571471679 /nfs/dbraw/zinc/47/16/79/571471679.db2.gz BRBMUIXTTJTTSQ-GIJQJNRQSA-N 1 0 670.168 10.114 50 0 KKAARO COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389206 571471704 /nfs/dbraw/zinc/47/17/04/571471704.db2.gz TZTAIFVSBUCUEN-GZTJUZNOSA-N 1 0 651.722 8.962 50 0 KKAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000150390632 571472852 /nfs/dbraw/zinc/47/28/52/571472852.db2.gz GIZRZGHJZHFZNI-HHHXNRCGSA-N 1 0 644.600 5.684 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150396114 571476295 /nfs/dbraw/zinc/47/62/95/571476295.db2.gz DWRDAGLPAITCET-XIFFEERXSA-N 1 0 644.907 6.873 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396391 571476510 /nfs/dbraw/zinc/47/65/10/571476510.db2.gz ONGLMOZUNGQBJU-JGCGQSQUSA-N 1 0 692.282 5.849 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150418575 571486684 /nfs/dbraw/zinc/48/66/84/571486684.db2.gz KFOGMGWMASRTIU-YTTGMZPUSA-N 1 0 642.822 5.548 50 0 KKAARO Cc1cc(Cl)ccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000150418564 571486700 /nfs/dbraw/zinc/48/67/00/571486700.db2.gz MYKJFSFOOHQZSC-UHFFFAOYSA-N 1 0 638.521 8.652 50 0 KKAARO O=C(NCC[NH+]1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000150461434 571506391 /nfs/dbraw/zinc/50/63/91/571506391.db2.gz SGPJEDCZVQMDEQ-UHFFFAOYSA-N 1 0 658.912 8.162 50 0 KKAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000150522465 571520154 /nfs/dbraw/zinc/52/01/54/571520154.db2.gz TZBJSKJBOIGZBE-MSEJLTFDSA-N 1 0 643.788 5.473 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150602762 571522634 /nfs/dbraw/zinc/52/26/34/571522634.db2.gz VGBLLXYHSNXODN-JJQXXVEZSA-N 1 0 665.854 6.714 50 0 KKAARO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3ccccc3OC)C2=O)C2C(=O)NC(=S)[C@H](c3ccccc3OC)C2=O)cc1CN1CCCCC1 ZINC000150623762 571523569 /nfs/dbraw/zinc/52/35/69/571523569.db2.gz OENHLHXEBRHHIS-LOYHVIPDSA-N 1 0 713.878 6.711 50 0 KKAARO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631406 571524121 /nfs/dbraw/zinc/52/41/21/571524121.db2.gz NFKZAYGAZSLISU-ACHOWJBZSA-N 1 0 767.400 8.019 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000150663427 571528140 /nfs/dbraw/zinc/52/81/40/571528140.db2.gz KPXRSOBZIDDLJG-XRLCUDTISA-N 1 0 634.507 6.285 50 0 KKAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158987911 571529939 /nfs/dbraw/zinc/52/99/39/571529939.db2.gz NSLBTBGUFUPTCR-IZZNHLLZSA-N 1 0 759.370 7.774 50 0 KKAARO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677730 571555214 /nfs/dbraw/zinc/55/52/14/571555214.db2.gz GEDCOQQPMHRGRC-SQHAQQRYSA-N 1 0 511.563 5.067 50 0 KKAARO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCc4ccccc4)C[C@@H]23)c1 ZINC000169679070 571556301 /nfs/dbraw/zinc/55/63/01/571556301.db2.gz YAFRJORLWKGUDR-VPUSJEBWSA-N 1 0 509.572 5.258 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169680049 571556766 /nfs/dbraw/zinc/55/67/66/571556766.db2.gz NWXYRCUVHTYKDD-IRLDBZIGSA-N 1 0 507.389 5.298 50 0 KKAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000169681614 571557472 /nfs/dbraw/zinc/55/74/72/571557472.db2.gz ZRLFWKYXLLYDCH-RBTNQOKQSA-N 1 0 522.114 5.421 50 0 KKAARO CCCCC[N@@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000169712597 571559274 /nfs/dbraw/zinc/55/92/74/571559274.db2.gz NCFFNJNNMLKHOL-GOLATDCPSA-N 1 0 609.723 5.376 50 0 KKAARO O=C(C[NH+]1CCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1cccc(Br)c1 ZINC000170620044 571562473 /nfs/dbraw/zinc/56/24/73/571562473.db2.gz BSFOXQBFFJSIEO-SANMLTNESA-N 1 0 634.372 6.906 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000225075185 571644546 /nfs/dbraw/zinc/64/45/46/571644546.db2.gz QLKVBXMNISXUHE-YZNIXAGQSA-N 1 0 528.668 6.554 50 0 KKAARO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)Nc3cccc(C)c3)C2)c1OC ZINC000299764756 572135622 /nfs/dbraw/zinc/13/56/22/572135622.db2.gz DSFKMEMAHPHFQJ-FREGXXQWSA-N 1 0 574.741 5.583 50 0 KKAARO COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[N@@H+]2C=Cc3ccccc3[C@H]21 ZINC000229932184 572170900 /nfs/dbraw/zinc/17/09/00/572170900.db2.gz XZLDJIMNFYMIEX-USZFVNFHSA-N 1 0 536.411 5.702 50 0 KKAARO O=C(c1ccc(Br)cc1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000229970393 572175356 /nfs/dbraw/zinc/17/53/56/572175356.db2.gz PNDSHIATOJKPKN-QJGCUMMJSA-N 1 0 562.851 5.117 50 0 biogenic KKAARO C[NH+](C)[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1cccc(C(F)(F)F)c1 ZINC000238899394 572188941 /nfs/dbraw/zinc/18/89/41/572188941.db2.gz GFOXWFGNFKAEBK-QFIPXVFZSA-N 1 0 503.528 6.685 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)CCC[C@]21C ZINC000238997395 572190025 /nfs/dbraw/zinc/19/00/25/572190025.db2.gz AFNBJAYDGOHJLH-AXEIPPLRSA-N 1 0 500.727 6.744 50 0 KKAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000240333279 572196447 /nfs/dbraw/zinc/19/64/47/572196447.db2.gz FCSAXGXAJPCRFT-NQHRYMMQSA-N 1 0 508.028 5.865 50 0 KKAARO COc1ccc([C@H](C)[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000245224678 572202394 /nfs/dbraw/zinc/20/23/94/572202394.db2.gz BGILIDOZSPNEAV-JAYNAORVSA-N 1 0 577.737 6.108 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000245235032 572209830 /nfs/dbraw/zinc/20/98/30/572209830.db2.gz GZALGSHCPGBAGE-JDXGNMNLSA-N 1 0 517.645 5.347 50 0 KKAARO O=C1[C@@H]2[C@H](Cc3ccccc3)[NH2+][C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245238440 572211986 /nfs/dbraw/zinc/21/19/86/572211986.db2.gz OUNJCHWZWVJYTM-NLNOQGQVSA-N 1 0 548.042 5.102 50 0 KKAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245280854 572224465 /nfs/dbraw/zinc/22/44/65/572224465.db2.gz USSMCBOWIAXEKC-AOYPEHQESA-N 1 0 507.675 5.345 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000245327550 572234048 /nfs/dbraw/zinc/23/40/48/572234048.db2.gz KIKISGOANDWTGW-UZTOHYMASA-N 1 0 541.092 5.643 50 0 KKAARO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000245343568 572239394 /nfs/dbraw/zinc/23/93/94/572239394.db2.gz SEKVNHIOSTWNSO-LMSSTIIKSA-N 1 0 511.666 5.812 50 0 KKAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464704 572242450 /nfs/dbraw/zinc/24/24/50/572242450.db2.gz CEWYQWIONLSANJ-QFIPXVFZSA-N 1 0 517.471 5.359 50 0 KKAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489606 572242571 /nfs/dbraw/zinc/24/25/71/572242571.db2.gz LXDOBCPACMYBJP-QFIPXVFZSA-N 1 0 507.465 5.920 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247507528 572242862 /nfs/dbraw/zinc/24/28/62/572242862.db2.gz RYSPZJPVACBZGF-HXUWFJFHSA-N 1 0 582.340 6.079 50 0 KKAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726609 572243705 /nfs/dbraw/zinc/24/37/05/572243705.db2.gz DRLIOSCWJRJHGA-RUZDIDTESA-N 1 0 595.541 7.218 50 0 KKAARO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739662 572244077 /nfs/dbraw/zinc/24/40/77/572244077.db2.gz MWXMBQXJOFZRQA-SFHVURJKSA-N 1 0 557.414 6.658 50 0 KKAARO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247833283 572245677 /nfs/dbraw/zinc/24/56/77/572245677.db2.gz LPIRUWTWNVHHKM-NRFANRHFSA-N 1 0 594.518 5.668 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828043 572245725 /nfs/dbraw/zinc/24/57/25/572245725.db2.gz JVPOUEPEGBSJJR-JOCHJYFZSA-N 1 0 560.073 5.015 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842186 572246088 /nfs/dbraw/zinc/24/60/88/572246088.db2.gz FVSLFOILDLDCPS-JOCHJYFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247849128 572246243 /nfs/dbraw/zinc/24/62/43/572246243.db2.gz HZELURLJXRHJRR-QFIPXVFZSA-N 1 0 565.615 5.744 50 0 KKAARO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247855528 572246536 /nfs/dbraw/zinc/24/65/36/572246536.db2.gz COWXHSMJWFTCHC-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860858 572246568 /nfs/dbraw/zinc/24/65/68/572246568.db2.gz GAXQRHMKVHAPHF-NDEPHWFRSA-N 1 0 551.735 5.271 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865083 572246706 /nfs/dbraw/zinc/24/67/06/572246706.db2.gz IHHFWVCVXULHBX-HHHXNRCGSA-N 1 0 556.154 5.916 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871051 572247057 /nfs/dbraw/zinc/24/70/57/572247057.db2.gz QUAFEYCFHWNILI-JOCHJYFZSA-N 1 0 565.615 5.744 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867653 572247273 /nfs/dbraw/zinc/24/72/73/572247273.db2.gz PFIDVHUPIFQJFH-JOCHJYFZSA-N 1 0 626.521 6.368 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874543 572247548 /nfs/dbraw/zinc/24/75/48/572247548.db2.gz SKAMYPCUDVRBKN-SSEXGKCCSA-N 1 0 648.649 6.934 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874517 572247610 /nfs/dbraw/zinc/24/76/10/572247610.db2.gz GMGMJUPYEJPEDF-DEOSSOPVSA-N 1 0 592.571 5.961 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878481 572247760 /nfs/dbraw/zinc/24/77/60/572247760.db2.gz IBVMIDJIPGWYKT-XMMPIXPASA-N 1 0 517.073 5.318 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879039 572247937 /nfs/dbraw/zinc/24/79/37/572247937.db2.gz VBTOWVZIGGQYLA-DEOSSOPVSA-N 1 0 577.611 7.494 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880058 572247984 /nfs/dbraw/zinc/24/79/84/572247984.db2.gz IVNMSAAPOHKQCN-DEOSSOPVSA-N 1 0 592.571 5.961 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879914 572248007 /nfs/dbraw/zinc/24/80/07/572248007.db2.gz VGURLSAZYRXRIZ-NRFANRHFSA-N 1 0 610.959 6.141 50 0 KKAARO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247879979 572248049 /nfs/dbraw/zinc/24/80/49/572248049.db2.gz VIBOHMWTFSFTAP-OAQYLSRUSA-N 1 0 594.504 5.627 50 0 KKAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883233 572248245 /nfs/dbraw/zinc/24/82/45/572248245.db2.gz CPRRMBIJIPEBQQ-JOCHJYFZSA-N 1 0 517.471 5.625 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893381 572248627 /nfs/dbraw/zinc/24/86/27/572248627.db2.gz NKLBMGNVHHFVTA-XMMPIXPASA-N 1 0 592.571 5.961 50 0 KKAARO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955204 572250633 /nfs/dbraw/zinc/25/06/33/572250633.db2.gz VEFWKOOXXOMUFV-OAQYLSRUSA-N 1 0 594.518 5.668 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955208 572250676 /nfs/dbraw/zinc/25/06/76/572250676.db2.gz VEGXQLXXALXIEM-JOCHJYFZSA-N 1 0 594.518 5.668 50 0 KKAARO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247961124 572250783 /nfs/dbraw/zinc/25/07/83/572250783.db2.gz XQWFUADVZLRHBE-QFIPXVFZSA-N 1 0 620.979 5.638 50 0 KKAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247975226 572251164 /nfs/dbraw/zinc/25/11/64/572251164.db2.gz CHCUKDXHYSUCOW-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO CCCCN(CCC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247972615 572251171 /nfs/dbraw/zinc/25/11/71/572251171.db2.gz DOSXXQFLPXVCMN-NRFANRHFSA-N 1 0 511.508 6.039 50 0 KKAARO CC(C)N(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974597 572251192 /nfs/dbraw/zinc/25/11/92/572251192.db2.gz FIKKHZGZLLGDJB-HOFKKMOUSA-N 1 0 533.009 7.264 50 0 KKAARO CCCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)C(C)C ZINC000247983612 572251309 /nfs/dbraw/zinc/25/13/09/572251309.db2.gz IAVWZVKSBABHDI-NRFANRHFSA-N 1 0 511.508 6.037 50 0 KKAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992671 572251650 /nfs/dbraw/zinc/25/16/50/572251650.db2.gz NJPXBWJLONIXDD-FQEVSTJZSA-N 1 0 503.444 5.947 50 0 KKAARO CCCCN(C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)C(C)C ZINC000248000180 572251890 /nfs/dbraw/zinc/25/18/90/572251890.db2.gz NSFXQARQXVVYBR-UHFFFAOYSA-N 1 0 511.508 6.037 50 0 KKAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079223 572253245 /nfs/dbraw/zinc/25/32/45/572253245.db2.gz IKDJTOWLLYGFOD-JOCHJYFZSA-N 1 0 517.471 5.625 50 0 KKAARO CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104803 572253601 /nfs/dbraw/zinc/25/36/01/572253601.db2.gz QLBLTERBNPVWOT-CXVLVDDRSA-N 1 0 529.750 5.647 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248104977 572253609 /nfs/dbraw/zinc/25/36/09/572253609.db2.gz QLKVBXMNISXUHE-FREGXXQWSA-N 1 0 528.668 6.554 50 0 KKAARO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109817 572253732 /nfs/dbraw/zinc/25/37/32/572253732.db2.gz QKNKDAPOYZFZPI-HSZRJFAPSA-N 1 0 531.498 5.667 50 0 KKAARO CCc1cccc2c([C@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000248130670 572254568 /nfs/dbraw/zinc/25/45/68/572254568.db2.gz YKFYHRMKBFWPNF-ZORMNXRFSA-N 1 0 551.775 7.919 50 0 KKAARO CCc1cccc2c([C@@H](CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000248130666 572254642 /nfs/dbraw/zinc/25/46/42/572254642.db2.gz YKFYHRMKBFWPNF-SYBRLPANSA-N 1 0 551.775 7.919 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1F ZINC000248132738 572254708 /nfs/dbraw/zinc/25/47/08/572254708.db2.gz BJBLNPCNODJRDX-KCQQKVKYSA-N 1 0 558.609 6.124 50 0 KKAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248132282 572254779 /nfs/dbraw/zinc/25/47/79/572254779.db2.gz XIHNDDUMNJZCRB-XMMPIXPASA-N 1 0 572.551 5.657 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000248140427 572255215 /nfs/dbraw/zinc/25/52/15/572255215.db2.gz PLWQDHYCKXVZKF-XKEBTDTJSA-N 1 0 586.644 5.694 50 0 KKAARO COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000248146370 572255479 /nfs/dbraw/zinc/25/54/79/572255479.db2.gz STOAPNMOTXHAIM-ZGFYEYRMSA-N 1 0 556.618 5.686 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000248146192 572255493 /nfs/dbraw/zinc/25/54/93/572255493.db2.gz SJPVAXGBPOKESA-HXLKRRFRSA-N 1 0 586.644 5.694 50 0 KKAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152177 572255804 /nfs/dbraw/zinc/25/58/04/572255804.db2.gz KHVUPPGFGWXEDT-JOCHJYFZSA-N 1 0 517.471 5.625 50 0 KKAARO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156204 572255929 /nfs/dbraw/zinc/25/59/29/572255929.db2.gz IOJSFOKYYCHIOW-VRGUBSQPSA-N 1 0 656.864 7.531 50 0 KKAARO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248156963 572255990 /nfs/dbraw/zinc/25/59/90/572255990.db2.gz ZUIIYMKAKGSURQ-QHCPKHFHSA-N 1 0 588.550 5.357 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5C)CC4)C3)nc3ccccc32)cc1 ZINC000248162332 572256095 /nfs/dbraw/zinc/25/60/95/572256095.db2.gz POIHUFQOYQPEKW-NDEPHWFRSA-N 1 0 551.735 5.271 50 0 KKAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174010 572256255 /nfs/dbraw/zinc/25/62/55/572256255.db2.gz XYKLEBQEQQPAMU-OAQYLSRUSA-N 1 0 517.471 6.256 50 0 KKAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210357 572256660 /nfs/dbraw/zinc/25/66/60/572256660.db2.gz CWSPZNYWOHJHMV-OZXSUGGESA-N 1 0 518.620 6.920 50 0 KKAARO CC(C)CN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248264795 572257461 /nfs/dbraw/zinc/25/74/61/572257461.db2.gz XKMMYWSSKCSTQC-GJZUVCINSA-N 1 0 518.620 6.920 50 0 KKAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000252006915 572259674 /nfs/dbraw/zinc/25/96/74/572259674.db2.gz PJAKLDZWFIABNU-PEMRLZPOSA-N 1 0 556.460 5.026 50 0 KKAARO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252004459 572259683 /nfs/dbraw/zinc/25/96/83/572259683.db2.gz NXRGIXMZPUYBHY-NRFANRHFSA-N 1 0 517.471 6.201 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252139629 572259804 /nfs/dbraw/zinc/25/98/04/572259804.db2.gz GDSLOORRTAEJLM-SANMLTNESA-N 1 0 600.605 6.472 50 0 KKAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023306 572259928 /nfs/dbraw/zinc/25/99/28/572259928.db2.gz ZTJFTHYDMANINC-VWLOTQADSA-N 1 0 586.578 5.911 50 0 KKAARO Cc1noc(C)c1C(=O)N1CCC([NH+]2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252496564 572261738 /nfs/dbraw/zinc/26/17/38/572261738.db2.gz PLOJSUPHUQYDFO-UHFFFAOYSA-N 1 0 561.649 5.388 50 0 KKAARO Cc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=[NH+]N2c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)cc1 ZINC000252504565 572261999 /nfs/dbraw/zinc/26/19/99/572261999.db2.gz VKTKIKNZPZQQFR-PMERELPUSA-N 1 0 518.064 7.680 50 0 KKAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000253406830 572286418 /nfs/dbraw/zinc/28/64/18/572286418.db2.gz JIBXSOSQHABCLS-NTGKZJMKSA-N 1 0 528.697 5.085 50 0 KKAARO CCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000253607358 572300871 /nfs/dbraw/zinc/30/08/71/572300871.db2.gz OYMBXIUPDKGUPR-QFIPXVFZSA-N 1 0 531.498 6.591 50 0 KKAARO CCCC[C@@H]1Oc2ccccc2[C@H]1C(=O)c1ccc(OCC[NH+](CC)CC)c(I)c1 ZINC000514268738 1069726311 /nfs/dbraw/zinc/72/63/11/1069726311.db2.gz GXGVTWJXMNXSIR-BJKOFHAPSA-N 1 0 521.439 5.930 50 0 KKAARO COc1cc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)ccc1OCc1ccccc1 ZINC000022023286 1069756232 /nfs/dbraw/zinc/75/62/32/1069756232.db2.gz SEUHZHQHSUSYKX-JGCGQSQUSA-N 1 0 530.064 7.093 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000409415021 1069812492 /nfs/dbraw/zinc/81/24/92/1069812492.db2.gz RHNIPZDOWWMUPQ-LITSAYRRSA-N 1 0 546.708 5.531 50 0 KKAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000524731452 1069833958 /nfs/dbraw/zinc/83/39/58/1069833958.db2.gz YPZDZHYQJWYCTI-BKMJKUGQSA-N 1 0 508.659 5.137 50 0 KKAARO COc1ccc([C@](O)([C@@H](C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734251 1069838095 /nfs/dbraw/zinc/83/80/95/1069838095.db2.gz NCHYNYKOJPQQIY-QARUCVQPSA-N 1 0 609.254 8.308 50 0 KKAARO CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733072 1069837380 /nfs/dbraw/zinc/83/73/80/1069837380.db2.gz QMOCOFWAJPNQOL-ZUBDYPCQSA-N 1 0 562.798 7.519 50 0 KKAARO COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1OC ZINC000102020665 1069840358 /nfs/dbraw/zinc/84/03/58/1069840358.db2.gz NTJCENNQVAJCFU-MUUNZHRXSA-N 1 0 583.729 6.356 50 0 KKAARO CCCCOc1ccc([C@](O)(c2ccccc2)[C@@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733251 1069838519 /nfs/dbraw/zinc/83/85/19/1069838519.db2.gz JNILQXKQXROHPY-YBZKQSBQSA-N 1 0 548.771 7.324 50 0 KKAARO CCCCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733282 1069838648 /nfs/dbraw/zinc/83/86/48/1069838648.db2.gz CVOFXQLONKMARN-VEEOACQBSA-N 1 0 507.118 6.641 50 0 KKAARO CCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733281 1069838785 /nfs/dbraw/zinc/83/87/85/1069838785.db2.gz CVOFXQLONKMARN-SMCANUKXSA-N 1 0 507.118 6.641 50 0 KKAARO CCCCOc1ccc([C@@](O)(c2ccccc2)[C@@H](C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc2)cc1 ZINC000524733250 1069838814 /nfs/dbraw/zinc/83/88/14/1069838814.db2.gz JNILQXKQXROHPY-JSXFGMRASA-N 1 0 548.771 7.324 50 0 KKAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000102167149 1069844876 /nfs/dbraw/zinc/84/48/76/1069844876.db2.gz HZFVEPNNVWESTB-BHYZAODMSA-N 1 0 598.143 5.739 50 0 KKAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000409414698 1069848104 /nfs/dbraw/zinc/84/81/04/1069848104.db2.gz UTDYDYSHGQIBTN-JRIPWJPVSA-N 1 0 632.802 5.119 50 0 KKAARO COc1cc2cc(C[NH+]3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000102694467 1069862179 /nfs/dbraw/zinc/86/21/79/1069862179.db2.gz DVUNACRFCSGLJY-UHFFFAOYSA-N 1 0 566.620 5.878 50 0 KKAARO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1)Cc1cccc2ccccc21 ZINC000102709414 1069865385 /nfs/dbraw/zinc/86/53/85/1069865385.db2.gz NOQMCLMOJOCLQS-UHFFFAOYSA-N 1 0 537.660 5.037 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2S/C1=C/C1=C(C)/C(=C/c2sc3cc(SC)c(OC)cc3[n+]2CC)C[C@H](C)C1 ZINC000685944200 1070939247 /nfs/dbraw/zinc/93/92/47/1070939247.db2.gz AAOTYPDRGQODNQ-UHFFFAOYSA-N 1 0 611.944 9.273 50 0 KKAARO CCN1c2cc(OC)ccc2S/C1=C\C1=C/C(=C\C=C\C2=C/C(=C/c3sc4ccc(OC)cc4[n+]3CC)CC(C)(C)C2)CC(C)(C)C1 ZINC000685944284 1070940554 /nfs/dbraw/zinc/94/05/54/1070940554.db2.gz IGSYSANTYDSPIK-UHFFFAOYSA-N 1 0 665.989 11.058 50 0 KKAARO CN1c2c(ccc3ccccc23)C(C)(C)/C1=C\C=C(\C=C\C1=[N+](C)c2c(ccc3ccccc23)C1(C)C)OCCO ZINC000685944578 1070944434 /nfs/dbraw/zinc/94/44/34/1070944434.db2.gz OIBSDIIQWIACQC-UHFFFAOYSA-N 1 0 543.731 7.760 50 0 KKAARO CCN1c2cc(OC)c(SC)cc2SC1=CC1=C(C)C(=Cc2sc(-c3ccccc3)c[n+]2CC)CC(C)(C)C1 ZINC000685944802 1070946138 /nfs/dbraw/zinc/94/61/38/1070946138.db2.gz YZISRDOHGBXAHR-UHFFFAOYSA-N 1 0 575.889 9.368 50 0 KKAARO CCn1c2cc(-c3nc4ccccc4o3)ccc2[n+](-c2ccccc2)c1C=CC=CC=CC=C1N(C)c2ccccc2C1(C)C ZINC000685944451 1070941806 /nfs/dbraw/zinc/94/18/06/1070941806.db2.gz NLZCYGRRRZDYOH-UHFFFAOYSA-N 1 0 589.763 9.689 50 0 KKAARO CCN1c2ccc(Cl)cc2S/C1=C/C=C/C1=C/C(=C/c2sc3cc(Cl)ccc3[n+]2CC)CC(C)(C)C1 ZINC000685944499 1070942527 /nfs/dbraw/zinc/94/25/27/1070942527.db2.gz SMGLTOMQZJMQKR-UHFFFAOYSA-N 1 0 554.632 9.675 50 0 KKAARO Cc1c2ccc(/C=C/C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)ccc-2c(C)[n+]1-c1ccccc1 ZINC000685944520 1070942567 /nfs/dbraw/zinc/94/25/67/1070942567.db2.gz UFJWZMBQAWLQOA-OUKQBFOZSA-N 1 0 504.653 8.737 50 0 KKAARO CCN1c2cc(C)c(C)cc2S/C1=C\C=C1\C[C@H](C)CC(/C=C/c2sc3cc(C)c(C)cc3[n+]2CC)=C1C ZINC000685944524 1070942575 /nfs/dbraw/zinc/94/25/75/1070942575.db2.gz KUONEGYKIAECGK-UHFFFAOYSA-N 1 0 541.850 9.602 50 0 KKAARO O=C([C@@H](c1ccccc1)C1CCCC1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020598959 1070953481 /nfs/dbraw/zinc/95/34/81/1070953481.db2.gz KMQUSHJYDIIWCR-HKBQPEDESA-N 1 0 513.682 5.295 50 0 KKAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CCC(Cc2ccccc2)CC1 ZINC000257177755 1070973416 /nfs/dbraw/zinc/97/34/16/1070973416.db2.gz BHQVZHMSGSSMEP-TWXNZYBRSA-N 1 0 528.741 5.048 50 0 KKAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)CN1Cc1ccc(Cl)cc1)CC2 ZINC000299778065 1071048562 /nfs/dbraw/zinc/04/85/62/1071048562.db2.gz LTBSCIHMWZCEOK-VMRPYMQXSA-N 1 0 564.170 5.299 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1Cl ZINC000195529394 1071082360 /nfs/dbraw/zinc/08/23/60/1071082360.db2.gz LRGYBFLJIOVOAW-JKUGMWFDSA-N 1 0 724.327 6.654 50 0 KKAARO O=C(NCc1nc2ccccc2s1)c1ccc(-c2csc3ccccc32)nc1N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000110186731 1071157847 /nfs/dbraw/zinc/15/78/47/1071157847.db2.gz HXJFTBKLSQSHDW-QFIPXVFZSA-N 1 0 597.810 6.176 50 0 KKAARO Cc1ccsc1C(=O)N1CCCC[C@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000012037577 1071234513 /nfs/dbraw/zinc/23/45/13/1071234513.db2.gz NDAZPQIMUQCNNS-MHZLTWQESA-N 1 0 513.707 6.701 50 0 KKAARO FC(F)(F)c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012242927 1071240031 /nfs/dbraw/zinc/24/00/31/1071240031.db2.gz AGKXJWZHQVNWDW-NRFANRHFSA-N 1 0 507.940 6.126 50 0 KKAARO C[N@H+](Cc1cccc(OC2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)c1)Cc1cccc2ncccc12 ZINC000012041334 1071236046 /nfs/dbraw/zinc/23/60/46/1071236046.db2.gz NQDKROXHZHBRBL-WJOKGBTCSA-N 1 0 534.660 5.111 50 0 KKAARO O=C(Cc1cccs1)N1CCC[C@@H](COc2cccc(C[NH+]3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014992265 1071246292 /nfs/dbraw/zinc/24/62/92/1071246292.db2.gz WLGIRAFRHPIRAQ-MUUNZHRXSA-N 1 0 502.724 6.063 50 0 KKAARO Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)n2)cc1 ZINC000825182598 1071286585 /nfs/dbraw/zinc/28/65/85/1071286585.db2.gz BSBTVVMZLJTADX-AREMUKBSSA-N 1 0 524.068 7.553 50 0 KKAARO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC(C)(c3noc(-c4cccnc4)n3)CC2)CC1 ZINC000581783954 1071289518 /nfs/dbraw/zinc/28/95/18/1071289518.db2.gz QXNSVZTYALYDKW-UHFFFAOYSA-N 1 0 540.668 5.196 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000150517381 1071327738 /nfs/dbraw/zinc/32/77/38/1071327738.db2.gz QMKYFYXUFCSLJR-GHMVGRGESA-N 1 0 658.515 8.393 50 0 KKAARO COc1ccc(C2(C[NH2+]C[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@@H](C)C[C@]6(C)[C@@H]5CC[C@]43C)CCCC2)cc1OC ZINC000253612763 1072842410 /nfs/dbraw/zinc/84/24/10/1072842410.db2.gz UZOQIYJAFLJWLY-QWNIABNXSA-N 1 0 595.865 6.519 50 0 KKAARO Cc1nc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990418 1072894469 /nfs/dbraw/zinc/89/44/69/1072894469.db2.gz RLBMLHWQAYNIRC-SANMLTNESA-N 1 0 514.695 6.096 50 0 KKAARO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000015072614 1072896910 /nfs/dbraw/zinc/89/69/10/1072896910.db2.gz GBLRPVFQOYAYBV-LJQANCHMSA-N 1 0 510.569 5.501 50 0 KKAARO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000019842435 1072897456 /nfs/dbraw/zinc/89/74/56/1072897456.db2.gz YMMLPGYLCXULKZ-OAQYLSRUSA-N 1 0 532.637 5.027 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000000626554 551503963 /nfs/dbraw/zinc/50/39/63/551503963.db2.gz MUTYIBZJFUUPAA-JOCHJYFZSA-N 1 0 557.330 5.498 50 0 KKAARO Cc1ccc(NC(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1C ZINC000000696536 551528260 /nfs/dbraw/zinc/52/82/60/551528260.db2.gz OMJKCULCTJFPIZ-UHFFFAOYSA-N 1 0 522.690 5.663 50 0 KKAARO COc1ccc([C@@H]2CC(=O)[C@H]([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001404095 551661257 /nfs/dbraw/zinc/66/12/57/551661257.db2.gz ZQUBRKJSKNTGGQ-BPUWIUIQSA-N 1 0 528.958 5.675 50 0 KKAARO O=S(=O)(c1ccccc1)N(C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc2ccccc21 ZINC000001781247 551698373 /nfs/dbraw/zinc/69/83/73/551698373.db2.gz WADUASDYGFYHCL-SSEXGKCCSA-N 1 0 536.697 6.098 50 0 KKAARO CCC[NH+](CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000001785086 551698906 /nfs/dbraw/zinc/69/89/06/551698906.db2.gz ALNNEGPGFBTNFY-UHFFFAOYSA-N 1 0 595.658 8.679 50 0 KKAARO Cc1ccc(N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001834449 551712084 /nfs/dbraw/zinc/71/20/84/551712084.db2.gz IKCFXCYNCXZCAW-GDLZYMKVSA-N 1 0 500.664 5.254 50 0 KKAARO COc1ccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000001836026 551712441 /nfs/dbraw/zinc/71/24/41/551712441.db2.gz JUWWVQCOIOMOGR-XIFFEERXSA-N 1 0 518.657 7.186 50 0 biogenic KKAARO COc1ccccc1C(=O)Nc1c(Br)cc(Br)cc1C[N@H+](C)C1CCCCC1 ZINC000002088295 551757965 /nfs/dbraw/zinc/75/79/65/551757965.db2.gz VPDXOYCWTCYASS-UHFFFAOYSA-N 1 0 510.270 6.237 50 0 KKAARO CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000002093863 551760156 /nfs/dbraw/zinc/76/01/56/551760156.db2.gz KHVNMXCEWAZZBH-AFPLUKJUSA-N 1 0 546.715 5.641 50 0 biogenic KKAARO O=C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002095371 551761245 /nfs/dbraw/zinc/76/12/45/551761245.db2.gz YQDSLHNSWXPUOW-ACHIHNKUSA-N 1 0 546.715 5.350 50 0 biogenic KKAARO C[NH+](C)C[C@H](Cc1cc(Cl)cc(Cl)c1Sc1ccccc1)c1ccc(Cl)c(Cl)c1Sc1ccccc1 ZINC000002193164 551791286 /nfs/dbraw/zinc/79/12/86/551791286.db2.gz YLPOEUAIMMNYPA-FQEVSTJZSA-N 1 0 593.472 10.491 50 0 KKAARO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000002193221 551791349 /nfs/dbraw/zinc/79/13/49/551791349.db2.gz ZEHAEZWSKQHRID-AREMUKBSSA-N 1 0 568.488 7.708 50 0 KKAARO Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002246608 551799863 /nfs/dbraw/zinc/79/98/63/551799863.db2.gz BFIJFPAWGUSNGC-PKTZIBPZSA-N 1 0 509.766 6.046 50 0 KKAARO COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1F)N1NC=NC1=N2 ZINC000002246497 551799885 /nfs/dbraw/zinc/79/98/85/551799885.db2.gz AHHAEFZVLADZFX-ZEQRLZLVSA-N 1 0 505.347 5.401 50 0 KKAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000002340646 552098097 /nfs/dbraw/zinc/09/80/97/552098097.db2.gz CUUCLGNXMRCZHT-UHFFFAOYSA-N 1 0 529.475 6.093 50 0 KKAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000002905031 552212723 /nfs/dbraw/zinc/21/27/23/552212723.db2.gz UTVAPCQDVLRLDF-LJQANCHMSA-N 1 0 502.250 5.513 50 0 KKAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000002964701 552235606 /nfs/dbraw/zinc/23/56/06/552235606.db2.gz XBHQXGHOAQOPDF-UHFFFAOYSA-N 1 0 572.105 6.579 50 0 KKAARO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000003007217 552255253 /nfs/dbraw/zinc/25/52/53/552255253.db2.gz GMWBUFFIGHQJTA-UHFFFAOYSA-N 1 0 596.844 6.854 50 0 KKAARO CC[NH+](CC)CCn1c2nc(SCc3ccccc3C)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034081 552268583 /nfs/dbraw/zinc/26/85/83/552268583.db2.gz YHUIPKFTARGIFK-UHFFFAOYSA-N 1 0 526.753 5.929 50 0 KKAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054693 552279833 /nfs/dbraw/zinc/27/98/33/552279833.db2.gz YZYBCAYFXYUGAB-KOEQRZSOSA-N 1 0 536.495 5.177 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)C2=O)c1 ZINC000003061296 552282110 /nfs/dbraw/zinc/28/21/10/552282110.db2.gz RVEFLANNGIWPOW-JBASAIQMSA-N 1 0 525.718 6.281 50 0 KKAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000003062454 552283177 /nfs/dbraw/zinc/28/31/77/552283177.db2.gz MWNXDAHNOGHTDQ-UHFFFAOYSA-N 1 0 596.193 6.067 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)C2=O)c1 ZINC000003063378 552283853 /nfs/dbraw/zinc/28/38/53/552283853.db2.gz VHWXEIPFULHFRQ-AWSUPERCSA-N 1 0 551.756 6.766 50 0 KKAARO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]CCSc2ccc(Br)cc2)cc1 ZINC000003355901 552369069 /nfs/dbraw/zinc/36/90/69/552369069.db2.gz DNQSXGRFIYQFFM-HSZRJFAPSA-N 1 0 500.502 5.897 50 0 KKAARO COc1ccc(NC(=O)COc2ccc([C@@H]3[NH2+]C[C@@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410213 552381904 /nfs/dbraw/zinc/38/19/04/552381904.db2.gz DQJZKQXBCINRDZ-BNHRFMORSA-N 1 0 568.073 6.681 50 0 KKAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000003589519 552392164 /nfs/dbraw/zinc/39/21/64/552392164.db2.gz DODPUDQUADWZMV-UHFFFAOYSA-N 1 0 507.078 5.481 50 0 KKAARO COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000003646068 552401570 /nfs/dbraw/zinc/40/15/70/552401570.db2.gz HTSWDWVLTYKABZ-LFIBNONCSA-N 1 0 514.025 7.180 50 0 KKAARO CC[NH+](CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000003870533 552421061 /nfs/dbraw/zinc/42/10/61/552421061.db2.gz DXCUKNQANPLTEJ-UHFFFAOYSA-N 1 0 523.682 5.163 50 0 investigational KKAARO O=C1CCCc2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3n(CC[NH+](Cc3ccccc3)Cc3ccccc3)c21 ZINC000004044649 552430545 /nfs/dbraw/zinc/43/05/45/552430545.db2.gz VSEWFQKWBCPERC-UHFFFAOYSA-N 1 0 542.767 8.331 50 0 KKAARO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+]2CCCC2)c2ccccc12 ZINC000004045144 552430877 /nfs/dbraw/zinc/43/08/77/552430877.db2.gz HUIQOQKKUDLZIJ-SANMLTNESA-N 1 0 510.678 6.484 50 0 KKAARO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000004489049 552461814 /nfs/dbraw/zinc/46/18/14/552461814.db2.gz WFVVMUOCJWVLFU-GDYKHXCGSA-N 1 0 597.759 6.665 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004762105 552478871 /nfs/dbraw/zinc/47/88/71/552478871.db2.gz CALUVOZRBVVQDV-PMERELPUSA-N 1 0 603.764 5.158 50 0 KKAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762193 552479124 /nfs/dbraw/zinc/47/91/24/552479124.db2.gz HIPONTQUJQXRSN-MUUNZHRXSA-N 1 0 626.223 5.744 50 0 KKAARO c1ccc([C@H]2CC(c3ccc(C4=[NH+]N(c5ccccc5)[C@@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000005395778 552500907 /nfs/dbraw/zinc/50/09/07/552500907.db2.gz HUDFQTTYMSMMGU-LQFQNGICSA-N 1 0 518.664 8.398 50 0 KKAARO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+](CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166798 552556886 /nfs/dbraw/zinc/55/68/86/552556886.db2.gz CFQMXHUFLRMBFQ-UHFFFAOYSA-N 1 0 599.621 8.537 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000006166804 552556984 /nfs/dbraw/zinc/55/69/84/552556984.db2.gz VOEGSCNMFMMFSJ-UHFFFAOYSA-N 1 0 613.648 8.693 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000008439499 553035728 /nfs/dbraw/zinc/03/57/28/553035728.db2.gz SZPXDUXKOUOUOC-WXJAXAPPSA-N 1 0 561.707 5.108 50 0 KKAARO CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3n2)s1 ZINC000008455444 553072580 /nfs/dbraw/zinc/07/25/80/553072580.db2.gz XBEKRSJHCSSLLH-UHFFFAOYSA-N 1 0 513.589 5.433 50 0 KKAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4ccc(C)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597109 553091858 /nfs/dbraw/zinc/09/18/58/553091858.db2.gz GNKRILAVIKCVRL-UHFFFAOYSA-N 1 0 585.793 6.246 50 0 KKAARO Cc1cccc(C)c1-n1ncc(C(=O)NCCC[NH+]2CCCCC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597365 553092757 /nfs/dbraw/zinc/09/27/57/553092757.db2.gz OPBWLFWAIZEYLU-UHFFFAOYSA-N 1 0 523.722 5.209 50 0 KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000008598285 553094795 /nfs/dbraw/zinc/09/47/95/553094795.db2.gz OYMYXBUFVVVRLL-VWLOTQADSA-N 1 0 545.705 5.064 50 0 KKAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008619123 553102911 /nfs/dbraw/zinc/10/29/11/553102911.db2.gz UHPAWJYFOVTCEJ-UHFFFAOYSA-N 1 0 585.793 5.980 50 0 KKAARO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763380 553137832 /nfs/dbraw/zinc/13/78/32/553137832.db2.gz WDSMVGBNMQDOOZ-LJAQVGFWSA-N 1 0 514.691 7.263 50 0 KKAARO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000008763669 553137851 /nfs/dbraw/zinc/13/78/51/553137851.db2.gz BWBFGVZUHJHYIL-PMERELPUSA-N 1 0 512.694 7.746 50 0 KKAARO Cc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c(C)c1 ZINC000008814220 553151327 /nfs/dbraw/zinc/15/13/27/553151327.db2.gz YCMNZSJDDOFRDZ-UHFFFAOYSA-N 1 0 528.100 6.191 50 0 KKAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000008834868 553161212 /nfs/dbraw/zinc/16/12/12/553161212.db2.gz PEKCGQWKHHVRSR-NRFANRHFSA-N 1 0 503.824 5.486 50 0 KKAARO CCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000008834864 553161231 /nfs/dbraw/zinc/16/12/31/553161231.db2.gz RCXTXVYELRYEEU-QHCPKHFHSA-N 1 0 513.432 5.231 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008836253 553162807 /nfs/dbraw/zinc/16/28/07/553162807.db2.gz WTSCZGUKFYBRBM-NRFANRHFSA-N 1 0 519.281 5.957 50 0 KKAARO CCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008857514 553168311 /nfs/dbraw/zinc/16/83/11/553168311.db2.gz AZUFQWLWNBKKQU-UHFFFAOYSA-N 1 0 531.627 5.427 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000008912730 553185329 /nfs/dbraw/zinc/18/53/29/553185329.db2.gz GIJHWPDDBGUOSJ-UHFFFAOYSA-N 1 0 526.150 5.437 50 0 KKAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923137 553190214 /nfs/dbraw/zinc/19/02/14/553190214.db2.gz SPJXXTJDQBPIJC-HHHXNRCGSA-N 1 0 527.646 6.325 50 0 KKAARO CC[NH+](CC)CCCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095145 553209354 /nfs/dbraw/zinc/20/93/54/553209354.db2.gz YVDQQDLUQZIAQC-FWUCURJTSA-N 1 0 522.693 5.925 50 0 KKAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000009095158 553209492 /nfs/dbraw/zinc/20/94/92/553209492.db2.gz ITRWUMXUARAAAE-YKGWIAGDSA-N 1 0 508.666 5.535 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009272263 553231445 /nfs/dbraw/zinc/23/14/45/553231445.db2.gz OMIHDSULDICLNE-OAQYLSRUSA-N 1 0 509.275 6.500 50 0 KKAARO FC(F)Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000009331655 553242682 /nfs/dbraw/zinc/24/26/82/553242682.db2.gz CTHQDRHOBNALTE-NSOVKSMOSA-N 1 0 515.604 6.701 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009360858 553248669 /nfs/dbraw/zinc/24/86/69/553248669.db2.gz HOBRZDUCKCYXAT-HHHXNRCGSA-N 1 0 516.483 6.860 50 0 KKAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009407213 553257011 /nfs/dbraw/zinc/25/70/11/553257011.db2.gz UIIJHNXJGYOHPP-IZLXSDGUSA-N 1 0 514.695 5.362 50 0 KKAARO Cc1cc(N2CC[NH+](Cn3cc(CCCC(=O)N4CCCCC4)c4ccccc43)CC2)nc2ccccc12 ZINC000009423511 553258245 /nfs/dbraw/zinc/25/82/45/553258245.db2.gz XFFDHVCKBIUDGD-UHFFFAOYSA-N 1 0 509.698 5.613 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433319 553263070 /nfs/dbraw/zinc/26/30/70/553263070.db2.gz NQXXNRNWPQCWOE-FQLXRVMXSA-N 1 0 533.738 6.229 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@H]1c1cccs1 ZINC000009433307 553263154 /nfs/dbraw/zinc/26/31/54/553263154.db2.gz SOBKELACTROAIH-FQLXRVMXSA-N 1 0 515.723 6.555 50 0 KKAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433691 553263314 /nfs/dbraw/zinc/26/33/14/553263314.db2.gz HPUUZLKCBMJUKJ-VMPREFPWSA-N 1 0 531.722 6.125 50 0 KKAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(-c5ccc(F)cc5)c(C)nn4c3C)cc2)CC1 ZINC000009609446 553287888 /nfs/dbraw/zinc/28/78/88/553287888.db2.gz OOFHPAUWHARUQQ-UHFFFAOYSA-N 1 0 514.649 5.174 50 0 KKAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c12 ZINC000009610443 553288468 /nfs/dbraw/zinc/28/84/68/553288468.db2.gz OVWFBMHUHUITBK-UHFFFAOYSA-N 1 0 502.062 5.641 50 0 KKAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)CC1 ZINC000009611679 553289417 /nfs/dbraw/zinc/28/94/17/553289417.db2.gz PAWZRKODCJHBQD-UHFFFAOYSA-N 1 0 511.497 5.671 50 0 KKAARO CC(C)c1ccc(Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000009680880 553296767 /nfs/dbraw/zinc/29/67/67/553296767.db2.gz BMMJVIZRVSFUDX-UHFFFAOYSA-N 1 0 520.721 7.176 50 0 KKAARO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009693751 553298873 /nfs/dbraw/zinc/29/88/73/553298873.db2.gz LTNLSXDQVPYVMG-UHFFFAOYSA-N 1 0 527.109 5.327 50 0 KKAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009775995 553304784 /nfs/dbraw/zinc/30/47/84/553304784.db2.gz OFVGSSADIQRIDX-XZWHSSHBSA-N 1 0 517.714 5.547 50 0 KKAARO Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011681563 553340252 /nfs/dbraw/zinc/34/02/52/553340252.db2.gz WAXQNWCZJDTGBU-UHFFFAOYSA-N 1 0 578.601 6.787 50 0 fda KKAARO Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000011788595 553343074 /nfs/dbraw/zinc/34/30/74/553343074.db2.gz HOTBZHYHGFCUBJ-NDEPHWFRSA-N 1 0 526.681 5.864 50 0 KKAARO Cn1cnnc1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OCC(=O)NCc2ccccc2Cl)CC1 ZINC000011841012 553343482 /nfs/dbraw/zinc/34/34/82/553343482.db2.gz GVLPYJHETSVKCE-UHFFFAOYSA-N 1 0 530.072 5.210 50 0 KKAARO COc1cc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2C[NH+]2CCCC2)cc(OC)c1OC ZINC000012200616 553354074 /nfs/dbraw/zinc/35/40/74/553354074.db2.gz DBPSEROHLLYLQZ-UHFFFAOYSA-N 1 0 546.689 5.885 50 0 KKAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)CC3)cc2)cn1 ZINC000012219208 553354570 /nfs/dbraw/zinc/35/45/70/553354570.db2.gz RWWFCNGZERGFLC-PMERELPUSA-N 1 0 500.687 5.396 50 0 KKAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000012245709 553355136 /nfs/dbraw/zinc/35/51/36/553355136.db2.gz SSHSWQGHGNRBKE-QFIPXVFZSA-N 1 0 527.690 5.076 50 0 KKAARO COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000012681275 553412749 /nfs/dbraw/zinc/41/27/49/553412749.db2.gz HSLLZQRCZXHTJS-SANMLTNESA-N 1 0 521.658 5.522 50 0 KKAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000013543593 553469723 /nfs/dbraw/zinc/46/97/23/553469723.db2.gz UPXSQTKCJWIRJW-UHFFFAOYSA-N 1 0 515.554 6.837 50 0 KKAARO Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)c2cc3c([nH]c2=O)CCCC3)c1 ZINC000015005737 553525105 /nfs/dbraw/zinc/52/51/05/553525105.db2.gz JUESNYZNGSKWOS-UHFFFAOYSA-N 1 0 508.666 5.290 50 0 KKAARO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(Cl)c2n1 ZINC000015319139 553531461 /nfs/dbraw/zinc/53/14/61/553531461.db2.gz YQUBJXHYUXOILP-YJBOKZPZSA-N 1 0 522.955 5.498 50 0 KKAARO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000015946334 553544376 /nfs/dbraw/zinc/54/43/76/553544376.db2.gz NERGRJNUWKEOSJ-KRWDZBQOSA-N 1 0 515.271 5.477 50 0 KKAARO Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000015946074 553544404 /nfs/dbraw/zinc/54/44/04/553544404.db2.gz CYMYDNYYVCRHQS-HSZRJFAPSA-N 1 0 517.739 6.539 50 0 KKAARO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)cc2OC)cc1 ZINC000015947096 553545035 /nfs/dbraw/zinc/54/50/35/553545035.db2.gz AFDMQGTZOXGBRP-XMMPIXPASA-N 1 0 507.612 5.180 50 0 KKAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947040 553545169 /nfs/dbraw/zinc/54/51/69/553545169.db2.gz KTCWACBAAIPOFX-VWLOTQADSA-N 1 0 505.640 5.870 50 0 KKAARO CCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000068705072 553593175 /nfs/dbraw/zinc/59/31/75/553593175.db2.gz QOCQTMXCADLDNP-UHFFFAOYSA-N 1 0 518.657 7.196 50 0 KKAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000017376289 553594855 /nfs/dbraw/zinc/59/48/55/553594855.db2.gz ZLHQQAGTDSUUBT-UHFFFAOYSA-N 1 0 552.722 5.119 50 0 KKAARO CCCC[N@H+](C)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179460 553603390 /nfs/dbraw/zinc/60/33/90/553603390.db2.gz IUUXTJBCQLNEAM-ANYBSYGZSA-N 1 0 531.697 6.358 50 0 KKAARO O=C(NCC[NH+]1CCCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020179534 553603491 /nfs/dbraw/zinc/60/34/91/553603491.db2.gz XJKWNZDYYQBFCD-DIBXZPPDSA-N 1 0 501.627 5.331 50 0 KKAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000070687733 553607665 /nfs/dbraw/zinc/60/76/65/553607665.db2.gz YKHBSTUYDOVWLL-YTTGMZPUSA-N 1 0 543.712 5.430 50 0 biogenic KKAARO COc1ccc(OC[C@H](O)C[N@H+](CC(C)C)C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000018269915 553611858 /nfs/dbraw/zinc/61/18/58/553611858.db2.gz KQIWDZGCYSQECM-PSWAGMNNSA-N 1 0 545.761 5.436 50 0 KKAARO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4ccc5c(c4)c4ccccc4n5CC)CC3)ccc21 ZINC000019369883 553614040 /nfs/dbraw/zinc/61/40/40/553614040.db2.gz AXQZCUAUOXOVRF-UHFFFAOYSA-N 1 0 500.690 7.260 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019731562 553615715 /nfs/dbraw/zinc/61/57/15/553615715.db2.gz QRXDXGBZUDUCJL-WJOKGBTCSA-N 1 0 515.701 6.462 50 0 KKAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242258 553627069 /nfs/dbraw/zinc/62/70/69/553627069.db2.gz HSKDNTGSBNFZMJ-PSXMRANNSA-N 1 0 524.086 5.129 50 0 KKAARO CCN(CC)c1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019938688 553637735 /nfs/dbraw/zinc/63/77/35/553637735.db2.gz MUWCKCBJURZGFZ-UHFFFAOYSA-N 1 0 517.681 5.573 50 0 KKAARO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1Cc3ccccc3C[N@@H+]1[C@@H]2c1ccc(Br)cc1 ZINC000020326662 553638837 /nfs/dbraw/zinc/63/88/37/553638837.db2.gz ZERLQXGGLHJKQZ-MOUTVQLLSA-N 1 0 507.815 5.390 50 0 KKAARO CCC[NH+](CCC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355312 553641028 /nfs/dbraw/zinc/64/10/28/553641028.db2.gz QBXIIZGHJQDNTI-JBASAIQMSA-N 1 0 511.666 5.814 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc3)C2=O)c1 ZINC000020355194 553641053 /nfs/dbraw/zinc/64/10/53/553641053.db2.gz SIOZKKYWXRJMNE-UQRQXUALSA-N 1 0 523.677 5.958 50 0 KKAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000072173084 553645359 /nfs/dbraw/zinc/64/53/59/553645359.db2.gz WMPHIQFJVGHIAS-UHFFFAOYSA-N 1 0 545.705 5.064 50 0 KKAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412778 553647115 /nfs/dbraw/zinc/64/71/15/553647115.db2.gz IBCOGKCITUYAKE-QDJWJZQCSA-N 1 0 519.129 6.505 50 0 biogenic KKAARO Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020466784 553657040 /nfs/dbraw/zinc/65/70/40/553657040.db2.gz PBXBKCDXVRCTOL-UHFFFAOYSA-N 1 0 500.050 5.066 50 0 KKAARO C[C@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000079188261 553666619 /nfs/dbraw/zinc/66/66/19/553666619.db2.gz BBUYYEWFMUTOCX-XHQCMKAISA-N 1 0 580.854 5.145 50 0 biogenic KKAARO CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000079189489 553667420 /nfs/dbraw/zinc/66/74/20/553667420.db2.gz SYMGSGWGEWOZFB-WIOPSUGQSA-N 1 0 530.665 5.323 50 0 biogenic KKAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104135 553688169 /nfs/dbraw/zinc/68/81/69/553688169.db2.gz HICHITIOVVNYNE-RPTRCYQFSA-N 1 0 531.741 5.793 50 0 KKAARO CC(=O)Nc1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000020685618 553688485 /nfs/dbraw/zinc/68/84/85/553688485.db2.gz YVHHVFVFNPWZOS-UHFFFAOYSA-N 1 0 516.711 5.042 50 0 KKAARO CC(C)[N@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)Cc1ccccc1 ZINC000020728017 553690926 /nfs/dbraw/zinc/69/09/26/553690926.db2.gz WACQMAUHOCIFBR-USHMODERSA-N 1 0 517.670 5.722 50 0 KKAARO CCCC[N@H+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020728216 553691185 /nfs/dbraw/zinc/69/11/85/553691185.db2.gz JMMZBKWSCKUTSU-MOHJPFBDSA-N 1 0 519.633 5.814 50 0 KKAARO O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020730684 553691879 /nfs/dbraw/zinc/69/18/79/553691879.db2.gz VBXBYBIJXNAAPL-JBASAIQMSA-N 1 0 527.640 5.053 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)c(OC)c1)S2 ZINC000020736543 553694065 /nfs/dbraw/zinc/69/40/65/553694065.db2.gz LVPJVZAFFHXSAM-NLRVBDNBSA-N 1 0 511.688 5.421 50 0 KKAARO CC1(C)c2ccccc2[N+](c2ccccc2)=C1/C=C\C=C/C=C1\N(c2ccccc2)c2ccccc2C1(C)C ZINC000090373405 553694769 /nfs/dbraw/zinc/69/47/69/553694769.db2.gz FXSODIIGFDXMTB-UHFFFAOYSA-N 1 0 507.701 9.379 50 0 KKAARO CN1c2ccccc2C(C)(C)C1=C/C=C1/CCCC(/C=C\C2=[N+](C)c3ccccc3C2(C)C)=C1c1ccccc1 ZINC000090557245 553695312 /nfs/dbraw/zinc/69/53/12/553695312.db2.gz ZDCRPWZOGPUIDN-UHFFFAOYSA-N 1 0 525.760 9.124 50 0 KKAARO O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000020864727 553700806 /nfs/dbraw/zinc/70/08/06/553700806.db2.gz YXZXGZUIGAEWEU-UHFFFAOYSA-N 1 0 518.658 5.141 50 0 KKAARO C[NH+](C)CCCNc1nc(CN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000095571597 553705093 /nfs/dbraw/zinc/70/50/93/553705093.db2.gz NCAJLQDPTZBGJV-UHFFFAOYSA-N 1 0 563.577 6.207 50 0 in-vitro KKAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000021162958 553708992 /nfs/dbraw/zinc/70/89/92/553708992.db2.gz VFNCNNXEBYUUKP-MHZLTWQESA-N 1 0 501.719 5.380 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2c(Br)cc(Br)cc2Br)nc2cc(Cl)ccc21 ZINC000095882468 553714430 /nfs/dbraw/zinc/71/44/30/553714430.db2.gz FGOQXYKHHNDDRL-OFAQMXQXSA-N 1 0 659.692 8.664 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275492 553732541 /nfs/dbraw/zinc/73/25/41/553732541.db2.gz BPLVESQWOIMYKM-HVNZXBJASA-N 1 0 525.737 6.847 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](CCc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000096278284 553734861 /nfs/dbraw/zinc/73/48/61/553734861.db2.gz HPXNEYJNNLQXGK-PPTMTGTBSA-N 1 0 537.792 7.731 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](CCc1ccccc1)c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000096278283 553734931 /nfs/dbraw/zinc/73/49/31/553734931.db2.gz HPXNEYJNNLQXGK-BHDXBOSCSA-N 1 0 537.792 7.731 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F ZINC000096287491 553738544 /nfs/dbraw/zinc/73/85/44/553738544.db2.gz FVYNGXFVSUGXSX-GIGWZHCTSA-N 1 0 531.691 7.117 50 0 KKAARO O=S(=O)(NC[C@@H](c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022864439 553763139 /nfs/dbraw/zinc/76/31/39/553763139.db2.gz UPRHHAKSNYNSRQ-PMERELPUSA-N 1 0 546.136 5.767 50 0 KKAARO O[C@H](COc1ccccc1)CN(CC[N@H+](C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000097940054 553763555 /nfs/dbraw/zinc/76/35/55/553763555.db2.gz BMNASIGFPCNXFN-COCZKOEFSA-N 1 0 692.900 8.049 50 0 KKAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000022873020 553766176 /nfs/dbraw/zinc/76/61/76/553766176.db2.gz GYKYPNVEZQFHKU-SYBRLPANSA-N 1 0 519.645 5.071 50 0 KKAARO Cc1ccc(-c2ccc(OC[C@@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c2)cc1 ZINC000022926814 553767333 /nfs/dbraw/zinc/76/73/33/553767333.db2.gz FBIBNJBKJMGGMY-YTTGMZPUSA-N 1 0 506.690 6.117 50 0 KKAARO c1ccc(COc2ccc(CN(CC[NH+]3CCCC3)Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000022945564 553768412 /nfs/dbraw/zinc/76/84/12/553768412.db2.gz VPFWZANEDJNWJC-UHFFFAOYSA-N 1 0 506.690 6.943 50 0 KKAARO Cc1cc2occ(CN(C)CC[N@H+](C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C ZINC000022940634 553768437 /nfs/dbraw/zinc/76/84/37/553768437.db2.gz JZNXLPPJRFFECJ-UHFFFAOYSA-N 1 0 547.621 6.936 50 0 in-vitro KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000023153879 553771049 /nfs/dbraw/zinc/77/10/49/553771049.db2.gz MKPBFKXOEKLLEV-UHFFFAOYSA-N 1 0 516.648 5.026 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000097945753 553774605 /nfs/dbraw/zinc/77/46/05/553774605.db2.gz MSQOLPFFEUFHQP-UHFFFAOYSA-N 1 0 536.072 5.473 50 0 KKAARO COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097948677 553795823 /nfs/dbraw/zinc/79/58/23/553795823.db2.gz FNWPWFZDLXHUGD-UHFFFAOYSA-N 1 0 592.537 7.220 50 0 KKAARO COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COCc1ccccc1)[C@@H]3c1ccc(OCCC[NH+](C)C)cc1 ZINC000025153813 553797616 /nfs/dbraw/zinc/79/76/16/553797616.db2.gz CBBMTTKDQQBGAN-JGCGQSQUSA-N 1 0 527.665 5.198 50 0 KKAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956242 553836971 /nfs/dbraw/zinc/83/69/71/553836971.db2.gz SGDVRVNYSAPEBY-KRWDZBQOSA-N 1 0 525.310 6.017 50 0 KKAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752679 553854291 /nfs/dbraw/zinc/85/42/91/553854291.db2.gz JGOSQKXKPJVRAE-SAIUNTKASA-N 1 0 567.730 5.002 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963436 553889999 /nfs/dbraw/zinc/88/99/99/553889999.db2.gz FPWKIRFPALSLQV-UHFFFAOYSA-N 1 0 628.845 7.185 50 0 KKAARO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000097963593 553892038 /nfs/dbraw/zinc/89/20/38/553892038.db2.gz AWTAQFSEGFYDNL-UHFFFAOYSA-N 1 0 549.759 5.147 50 0 KKAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963607 553892493 /nfs/dbraw/zinc/89/24/93/553892493.db2.gz PUDQKBLLJKLTIQ-UHFFFAOYSA-N 1 0 581.760 5.084 50 0 KKAARO Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCC[NH+]3CCCC3)c(NCc3ccc(Cl)cc3)c12 ZINC000033126586 553911077 /nfs/dbraw/zinc/91/10/77/553911077.db2.gz IBYWHWBAKUYWJQ-UHFFFAOYSA-N 1 0 503.050 5.210 50 0 KKAARO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354940 553932222 /nfs/dbraw/zinc/93/22/22/553932222.db2.gz WDJNIEADSJLIEA-KFCNMZSLSA-N 1 0 548.053 5.923 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000033355699 553936348 /nfs/dbraw/zinc/93/63/48/553936348.db2.gz COUHLFJHQDMRMA-IHLOFXLRSA-N 1 0 560.739 5.439 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000033356444 553941760 /nfs/dbraw/zinc/94/17/60/553941760.db2.gz LNYRLMONKPBUJK-UHFFFAOYSA-N 1 0 663.627 5.929 50 0 KKAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356775 553944463 /nfs/dbraw/zinc/94/44/63/553944463.db2.gz KWSJJVDGRSPSGS-BHYZAODMSA-N 1 0 591.152 5.170 50 0 KKAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429006 553959829 /nfs/dbraw/zinc/95/98/29/553959829.db2.gz DCDZBOZBYSWDEO-XRKRLSELSA-N 1 0 518.583 5.670 50 0 KKAARO C[N@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000033605795 553964130 /nfs/dbraw/zinc/96/41/30/553964130.db2.gz AEAVFOUDTJGFPC-UJQDQAMGSA-N 1 0 505.643 6.199 50 0 KKAARO O=[S@@](c1ccc(Br)cc1)C1=CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973092 553968331 /nfs/dbraw/zinc/96/83/31/553968331.db2.gz VZJRWPXCSPXDLK-MGBGTMOVSA-N 1 0 530.478 7.037 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669907 553982156 /nfs/dbraw/zinc/98/21/56/553982156.db2.gz GQFCRXRYAJLBCZ-YIXXDRMTSA-N 1 0 512.572 5.992 50 0 KKAARO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1)NCC[NH+]1CCCC1 ZINC000034679886 553984319 /nfs/dbraw/zinc/98/43/19/553984319.db2.gz DXUCIHZOZNNJII-UHFFFAOYSA-N 1 0 510.465 5.595 50 0 KKAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)NCC[NH+]1CCCCC1 ZINC000034680016 553984347 /nfs/dbraw/zinc/98/43/47/553984347.db2.gz FBIWDHJQKLNHOZ-UHFFFAOYSA-N 1 0 508.037 5.471 50 0 KKAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3C(F)(F)F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681777 553985168 /nfs/dbraw/zinc/98/51/68/553985168.db2.gz YRHVSPMWNLZAFK-UHFFFAOYSA-N 1 0 522.493 6.084 50 0 KKAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697682 553991044 /nfs/dbraw/zinc/99/10/44/553991044.db2.gz BFUDEVFTBRJZIS-WNCULLNHSA-N 1 0 511.563 5.523 50 0 KKAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698099 553991230 /nfs/dbraw/zinc/99/12/30/553991230.db2.gz YBQYUFAOVUFATD-UFHPHHKVSA-N 1 0 523.599 5.392 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698840 553991594 /nfs/dbraw/zinc/99/15/94/553991594.db2.gz RVLBJJXCIDMPPN-MXBOTTGLSA-N 1 0 502.649 6.964 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698736 553991654 /nfs/dbraw/zinc/99/16/54/553991654.db2.gz SDKSCOATSSTLML-UFHPHHKVSA-N 1 0 512.591 6.919 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698857 553991796 /nfs/dbraw/zinc/99/17/96/553991796.db2.gz UMDXQFSJIDKGJV-OFSOJUDTSA-N 1 0 501.114 7.339 50 0 KKAARO Cc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699141 553992398 /nfs/dbraw/zinc/99/23/98/553992398.db2.gz WHJKGIFSNRYXGY-LEAFIULHSA-N 1 0 512.616 6.929 50 0 KKAARO COc1ccccc1C[N@@H+]1C[C@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699147 553992431 /nfs/dbraw/zinc/99/24/31/553992431.db2.gz WBRNZEMHVSKXTL-SHQCIBLASA-N 1 0 528.590 6.620 50 0 KKAARO COc1cccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699159 553992458 /nfs/dbraw/zinc/99/24/58/553992458.db2.gz XUOSCCOZUPEBSV-UFHPHHKVSA-N 1 0 528.590 6.620 50 0 KKAARO Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)c1 ZINC000034699160 553992463 /nfs/dbraw/zinc/99/24/63/553992463.db2.gz QUHIANOGRRULSF-NAKRPHOHSA-N 1 0 512.591 6.919 50 0 KKAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000034716589 553995643 /nfs/dbraw/zinc/99/56/43/553995643.db2.gz GLMDYCBUKYPIDM-VXKWHMMOSA-N 1 0 504.955 6.420 50 0 KKAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2ccccc2C)s1 ZINC000034719482 553996202 /nfs/dbraw/zinc/99/62/02/553996202.db2.gz YMYAFYIABAAVTP-UHFFFAOYSA-N 1 0 536.717 6.053 50 0 KKAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000034725122 553996809 /nfs/dbraw/zinc/99/68/09/553996809.db2.gz XKNZEDCKPAGEAM-UHFFFAOYSA-N 1 0 509.094 5.154 50 0 KKAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000034725164 553996803 /nfs/dbraw/zinc/99/68/03/553996803.db2.gz GBXZLQRGGMQKMJ-UHFFFAOYSA-N 1 0 534.104 5.659 50 0 KKAARO CC[C@H](C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830208 554014855 /nfs/dbraw/zinc/01/48/55/554014855.db2.gz KJVJFTYMPTXSBF-QCDSWUKFSA-N 1 0 515.723 5.259 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830235 554014878 /nfs/dbraw/zinc/01/48/78/554014878.db2.gz CBVRTSPIBICAQR-PMERELPUSA-N 1 0 507.744 5.425 50 0 KKAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830541 554016104 /nfs/dbraw/zinc/01/61/04/554016104.db2.gz KVPAGDBGALSPGE-WENCSYSZSA-N 1 0 513.723 5.501 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830555 554016549 /nfs/dbraw/zinc/01/65/49/554016549.db2.gz YGVLIVLQCUTCGO-PBBNMVCDSA-N 1 0 519.686 5.160 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Nc3ccc(Cl)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832201 554017921 /nfs/dbraw/zinc/01/79/21/554017921.db2.gz HTZOXJNARSJCAY-UHFFFAOYSA-N 1 0 523.125 6.056 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833738 554018282 /nfs/dbraw/zinc/01/82/82/554018282.db2.gz MFWMAXPGYIGJBN-UHFFFAOYSA-N 1 0 522.052 6.111 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898949 554023879 /nfs/dbraw/zinc/02/38/79/554023879.db2.gz FZAQUBVCPCGPHX-SANMLTNESA-N 1 0 506.650 5.800 50 0 KKAARO O=C(CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000035085808 554034450 /nfs/dbraw/zinc/03/44/50/554034450.db2.gz AQVUKNJROHSXOB-UHFFFAOYSA-N 1 0 529.081 5.699 50 0 KKAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(Br)cc1)=N2 ZINC000035397207 554047903 /nfs/dbraw/zinc/04/79/03/554047903.db2.gz QUXCFYKHRSWOLF-UHFFFAOYSA-N 1 0 513.505 5.451 50 0 KKAARO COc1cc2c(cc1Br)n(C)c(COc1ccc(Br)cc1Br)c2C(=O)OCC[NH+](C)C ZINC000098007345 554063563 /nfs/dbraw/zinc/06/35/63/554063563.db2.gz USNTZKOOSKYKLI-UHFFFAOYSA-N 1 0 619.148 5.772 50 0 KKAARO Cc1ccsc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098011274 554079209 /nfs/dbraw/zinc/07/92/09/554079209.db2.gz VFYQVXCJJOQPTA-SSEXGKCCSA-N 1 0 573.788 5.373 50 0 KKAARO Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2F)c1C ZINC000098011318 554079713 /nfs/dbraw/zinc/07/97/13/554079713.db2.gz DOOUVCNGWYGENF-HKBQPEDESA-N 1 0 571.722 5.142 50 0 KKAARO COc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(N(C)C)cc2)=[NH+]O1 ZINC000035836016 554080108 /nfs/dbraw/zinc/08/01/08/554080108.db2.gz AZKAXNYKMNVODI-HSZRJFAPSA-N 1 0 526.559 6.007 50 0 KKAARO CCC[C@@H](O)C[N@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842606 554081294 /nfs/dbraw/zinc/08/12/94/554081294.db2.gz ZREJQSMTMUFYPT-MUUNZHRXSA-N 1 0 521.746 5.536 50 0 KKAARO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842596 554081370 /nfs/dbraw/zinc/08/13/70/554081370.db2.gz WTHGOCHRDRLTCG-SSEXGKCCSA-N 1 0 549.800 6.028 50 0 KKAARO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871462 554085669 /nfs/dbraw/zinc/08/56/69/554085669.db2.gz LJGZUDQKQVFSON-GGPAXRDESA-N 1 0 507.600 5.488 50 0 KKAARO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871395 554085793 /nfs/dbraw/zinc/08/57/93/554085793.db2.gz GIMKUDMQJZCYDI-AZGAKELHSA-N 1 0 513.991 5.538 50 0 KKAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871393 554085841 /nfs/dbraw/zinc/08/58/41/554085841.db2.gz PSYPOUXRHNSNTM-LADGPHEKSA-N 1 0 503.952 5.131 50 0 KKAARO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035891977 554090917 /nfs/dbraw/zinc/09/09/17/554090917.db2.gz FOQDGKPFGJLQIQ-DEOSSOPVSA-N 1 0 506.477 6.778 50 0 KKAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)Nc2ccccc2C)cc1OC ZINC000098019706 554114190 /nfs/dbraw/zinc/11/41/90/554114190.db2.gz BWJRYMZEJCOLTH-UHFFFAOYSA-N 1 0 576.738 5.505 50 0 KKAARO COc1cccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000098021299 554117714 /nfs/dbraw/zinc/11/77/14/554117714.db2.gz LSOQDTAJVMQASE-UHFFFAOYSA-N 1 0 538.519 6.965 50 0 KKAARO CC(C)(C)c1ccc(-c2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042728 554121753 /nfs/dbraw/zinc/12/17/53/554121753.db2.gz UZVVSCMEVPRWLR-UHFFFAOYSA-N 1 0 586.618 7.688 50 0 KKAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH+]3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000098045746 554133569 /nfs/dbraw/zinc/13/35/69/554133569.db2.gz NOSDQNXHQJWNKU-LJQANCHMSA-N 1 0 561.542 5.635 50 0 KKAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CC[NH+](C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048141 554159804 /nfs/dbraw/zinc/15/98/04/554159804.db2.gz VZODFMDSMOQRNS-PIYFIQLCSA-N 1 0 765.014 9.920 50 0 KKAARO O[C@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000098048279 554161021 /nfs/dbraw/zinc/16/10/21/554161021.db2.gz YHXXIAXXNPTXAA-UMSFTDKQSA-N 1 0 556.794 9.457 50 0 KKAARO Cc1nc(SCc2cccc(C(=O)NCC(C)C)c2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000036062984 554162279 /nfs/dbraw/zinc/16/22/79/554162279.db2.gz ROQPFHIFDVRDRO-UHFFFAOYSA-N 1 0 503.716 5.094 50 0 KKAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+][C@@H]3C4=C(CCCC4)C(=O)N3C[C@@H]3CCCO3)CCC[C@@]21C ZINC000036139313 554196869 /nfs/dbraw/zinc/19/68/69/554196869.db2.gz BEEWXJLOUGNKKP-PSXWTVODSA-N 1 0 504.759 6.628 50 0 KKAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146366 554198203 /nfs/dbraw/zinc/19/82/03/554198203.db2.gz JTVUCQXNNMSOLD-RPWUZVMVSA-N 1 0 517.428 5.705 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)s1 ZINC000036154590 554198431 /nfs/dbraw/zinc/19/84/31/554198431.db2.gz KSNCHMQKOINYLM-UHFFFAOYSA-N 1 0 521.679 5.990 50 0 KKAARO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccs1 ZINC000036154654 554198487 /nfs/dbraw/zinc/19/84/87/554198487.db2.gz WQMFFHUZJREANE-UHFFFAOYSA-N 1 0 507.652 5.681 50 0 KKAARO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036301723 554211814 /nfs/dbraw/zinc/21/18/14/554211814.db2.gz OAIDNJLZMUCPOG-HHHXNRCGSA-N 1 0 504.074 6.688 50 0 KKAARO COc1ccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302358 554212383 /nfs/dbraw/zinc/21/23/83/554212383.db2.gz QXCMYGNPDYIWRL-RUZDIDTESA-N 1 0 519.642 5.610 50 0 KKAARO CCCCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313980 554219355 /nfs/dbraw/zinc/21/93/55/554219355.db2.gz AYIYLRIOAIWQDC-AHWVRZQESA-N 1 0 511.638 5.177 50 0 KKAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316112 554219602 /nfs/dbraw/zinc/21/96/02/554219602.db2.gz BCRMIDXPHJGWTF-QFIPXVFZSA-N 1 0 501.618 5.792 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341192 554220483 /nfs/dbraw/zinc/22/04/83/554220483.db2.gz ZGCHHNAJJLYJJU-LJAQVGFWSA-N 1 0 502.058 5.981 50 0 KKAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341808 554221192 /nfs/dbraw/zinc/22/11/92/554221192.db2.gz OXYNZKZHBUNJBH-HHHXNRCGSA-N 1 0 516.041 5.701 50 0 KKAARO COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343393 554221896 /nfs/dbraw/zinc/22/18/96/554221896.db2.gz BSSHVTWCHBDTGL-PMERELPUSA-N 1 0 511.666 5.645 50 0 KKAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000036343474 554221945 /nfs/dbraw/zinc/22/19/45/554221945.db2.gz LOFWGFDCUDCCPC-GDLZYMKVSA-N 1 0 511.666 5.645 50 0 KKAARO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343890 554222432 /nfs/dbraw/zinc/22/24/32/554222432.db2.gz UBBAEMGLZZFNSS-PMERELPUSA-N 1 0 500.086 6.589 50 0 KKAARO Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000037587834 554253011 /nfs/dbraw/zinc/25/30/11/554253011.db2.gz VIHGBEFUNDSDTJ-UHFFFAOYSA-N 1 0 523.599 5.615 50 0 KKAARO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)cc1 ZINC000038139109 554259123 /nfs/dbraw/zinc/25/91/23/554259123.db2.gz QMRHGBZSYDWTIK-UHFFFAOYSA-N 1 0 564.777 5.722 50 0 KKAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 ZINC000038139135 554259391 /nfs/dbraw/zinc/25/93/91/554259391.db2.gz YLRRAAAQNUKZCI-UHFFFAOYSA-N 1 0 562.761 5.204 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3c(s2)c(OC)ccc3OC)cc1 ZINC000038144544 554266169 /nfs/dbraw/zinc/26/61/69/554266169.db2.gz MRALEWQMYQUEFT-UHFFFAOYSA-N 1 0 596.775 5.517 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C1/CCC(/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)=C1c1ccccc1 ZINC000100265581 554266580 /nfs/dbraw/zinc/26/65/80/554266580.db2.gz DBUZXIODRWWMMJ-UHFFFAOYSA-N 1 0 611.853 11.041 50 0 KKAARO CCN1c2ccc(Cl)cc2S/C1=C/C1=C/C(=C/c2sc3cc(Cl)ccc3[n+]2CC)CC(C)(C)C1 ZINC000039440311 554279303 /nfs/dbraw/zinc/27/93/03/554279303.db2.gz BACHOZGSKIIUJZ-UHFFFAOYSA-N 1 0 528.594 9.119 50 0 KKAARO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(Cl)\C=C\C1=[N+](C)c2ccc3ccccc3c2C1(C)C ZINC000039440227 554279412 /nfs/dbraw/zinc/27/94/12/554279412.db2.gz MAOHTKLPFMJXNY-UHFFFAOYSA-N 1 0 518.124 8.989 50 0 KKAARO COC(=O)c1ccccc1Sc1ccc(OCCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045068662 554311040 /nfs/dbraw/zinc/31/10/40/554311040.db2.gz QZUSAMPVQNITBW-UHFFFAOYSA-N 1 0 511.087 5.865 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000053253652 554330436 /nfs/dbraw/zinc/33/04/36/554330436.db2.gz XISMLAMAWBDSCB-WZLDLOKOSA-N 1 0 547.680 5.113 50 0 KKAARO CCOc1c(Br)cc([C@H]2[NH2+]C[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356913 554345001 /nfs/dbraw/zinc/34/50/01/554345001.db2.gz CEYLFJGEHUEGAU-UQBPGWFLSA-N 1 0 537.454 6.179 50 0 KKAARO CCC[NH+](CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371825 554348085 /nfs/dbraw/zinc/34/80/85/554348085.db2.gz WYQUSSDOWUPEFO-KXQOOQHDSA-N 1 0 552.140 5.909 50 0 KKAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371842 554348128 /nfs/dbraw/zinc/34/81/28/554348128.db2.gz DKWRLBHQKYFJQS-DIPNUNPCSA-N 1 0 536.097 5.273 50 0 KKAARO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000054274601 554349094 /nfs/dbraw/zinc/34/90/94/554349094.db2.gz OLCXEOADVFLFGM-UHFFFAOYSA-N 1 0 519.693 6.356 50 0 KKAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3cccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000054274624 554349223 /nfs/dbraw/zinc/34/92/23/554349223.db2.gz HAHVCBFPDRUVIL-UHFFFAOYSA-N 1 0 512.057 6.021 50 0 KKAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000057222932 554353145 /nfs/dbraw/zinc/35/31/45/554353145.db2.gz HQVQSVKDPLJBKZ-UHFFFAOYSA-N 1 0 523.633 5.600 50 0 KKAARO O=C(CC1CC[NH2+]CC1)N1CCC([C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000059315451 554388283 /nfs/dbraw/zinc/38/82/83/554388283.db2.gz FVZHXOFDPYQOAY-VWLOTQADSA-N 1 0 595.807 6.119 50 0 KKAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785691 554430215 /nfs/dbraw/zinc/43/02/15/554430215.db2.gz DEXFPUZLJYSAEO-XOLWELMFSA-N 1 0 527.624 5.417 50 0 KKAARO CCC[NH+]1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000100684078 554448901 /nfs/dbraw/zinc/44/89/01/554448901.db2.gz YJYZLUOIRGJXDO-VWLOTQADSA-N 1 0 569.341 7.110 50 0 KKAARO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818172 554478487 /nfs/dbraw/zinc/47/84/87/554478487.db2.gz NCXPMSNZSQSIEB-UHFFFAOYSA-N 1 0 530.675 5.697 50 0 KKAARO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)N2CC[NH+]([C@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868770 554497393 /nfs/dbraw/zinc/49/73/93/554497393.db2.gz YPTZLBMZADCDLD-UWXQCODUSA-N 1 0 584.764 7.780 50 0 KKAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060209995 554503815 /nfs/dbraw/zinc/50/38/15/554503815.db2.gz FQYGFEGASWNYIF-UHFFFAOYSA-N 1 0 535.135 5.113 50 0 KKAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000060210104 554504000 /nfs/dbraw/zinc/50/40/00/554504000.db2.gz NTLQMAIWMBFKOM-UHFFFAOYSA-N 1 0 594.759 5.271 50 0 KKAARO CCCCOc1ccc([C@](O)(CCC)[C@@H](C[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426878 554508902 /nfs/dbraw/zinc/50/89/02/554508902.db2.gz YIJMZLISLQQENO-BZKUTMRRSA-N 1 0 516.726 6.468 50 0 KKAARO CCCCOc1ccc([C@@](O)(CCC)[C@H](C[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426879 554508895 /nfs/dbraw/zinc/50/88/95/554508895.db2.gz YIJMZLISLQQENO-NDKRRWIDSA-N 1 0 516.726 6.468 50 0 KKAARO CCCCOc1ccc([C@](O)(CCC)[C@H](C[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426880 554508995 /nfs/dbraw/zinc/50/89/95/554508995.db2.gz YIJMZLISLQQENO-LXANVCGNSA-N 1 0 516.726 6.468 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[NH+]5CCCCCC5)CC4)ccc3o2)cc1 ZINC000065006122 554524390 /nfs/dbraw/zinc/52/43/90/554524390.db2.gz XNEHBDRICUYNEN-QHCPKHFHSA-N 1 0 516.686 5.284 50 0 KKAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[NH+]5CCCCCC5)CC4)ccc3o2)cc1 ZINC000065006119 554524373 /nfs/dbraw/zinc/52/43/73/554524373.db2.gz XNEHBDRICUYNEN-HSZRJFAPSA-N 1 0 516.686 5.284 50 0 KKAARO Cc1ncc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000068244727 554538323 /nfs/dbraw/zinc/53/83/23/554538323.db2.gz BJCJYEYYYGBROF-UHFFFAOYSA-N 1 0 562.600 5.004 50 0 investigational KKAARO Brc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000100991471 554550129 /nfs/dbraw/zinc/55/01/29/554550129.db2.gz QLGLGFFHBNOSHB-VWLOTQADSA-N 1 0 567.325 6.747 50 0 KKAARO COc1cc(C[C@@H]2[NH2+]CCc3cc(OCc4ccccc4)c(OCc4ccccc4)c(OC)c32)ccc1OCc1ccccc1 ZINC000101013569 554558966 /nfs/dbraw/zinc/55/89/66/554558966.db2.gz WEWHXOWKLPPEOF-XIFFEERXSA-N 1 0 601.743 7.870 50 0 KKAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccsc2)c(C)c1 ZINC000101052900 554568924 /nfs/dbraw/zinc/56/89/24/554568924.db2.gz RNQBQOYYZHSDBW-GDLZYMKVSA-N 1 0 559.761 5.065 50 0 KKAARO COc1cc(C(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052859 554568974 /nfs/dbraw/zinc/56/89/74/554568974.db2.gz SZMIGQJOVZYKPA-AREMUKBSSA-N 1 0 568.714 6.429 50 0 KKAARO Brc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH+](Cc3ccccc3)CC2)s1 ZINC000101092067 554583045 /nfs/dbraw/zinc/58/30/45/554583045.db2.gz AIVPMULFOXYNJZ-OAQYLSRUSA-N 1 0 573.354 6.809 50 0 KKAARO COc1cc(C(=O)Nc2ccc3[nH+]c4c(c(Nc5ccccc5OC)c3c2)CCCC4)ccc1Br ZINC000101193379 554671371 /nfs/dbraw/zinc/67/13/71/554671371.db2.gz XFSCMPDLQKFEAA-UHFFFAOYSA-N 1 0 532.438 6.889 50 0 KKAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216424 554683675 /nfs/dbraw/zinc/68/36/75/554683675.db2.gz DHHPFMFKSPMJQS-GDLZYMKVSA-N 1 0 624.182 5.421 50 0 KKAARO COc1cc(C[N@@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260299 554697285 /nfs/dbraw/zinc/69/72/85/554697285.db2.gz RMZDPVZMBJRRKO-DNQXCXABSA-N 1 0 544.589 6.092 50 0 KKAARO O=C(C1CC[NH+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101329071 554730233 /nfs/dbraw/zinc/73/02/33/554730233.db2.gz MHJMNSJDVNESJQ-UHFFFAOYSA-N 1 0 559.776 5.186 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101372172 554744655 /nfs/dbraw/zinc/74/46/55/554744655.db2.gz YWMBPVDTEHODPQ-LNVHHCMDSA-N 1 0 639.624 5.444 50 0 biogenic KKAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372838 554745157 /nfs/dbraw/zinc/74/51/57/554745157.db2.gz FBHGKYYXHSCRCC-WFYOHKHESA-N 1 0 557.735 6.890 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000101378455 554747530 /nfs/dbraw/zinc/74/75/30/554747530.db2.gz SKPOOLAPFIGVPI-QXNWPYRLSA-N 1 0 593.765 5.769 50 0 KKAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1 ZINC000101378450 554747584 /nfs/dbraw/zinc/74/75/84/554747584.db2.gz OCSSPPVRIBPKRC-UWBJMHDUSA-N 1 0 542.120 5.871 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386148 554751164 /nfs/dbraw/zinc/75/11/64/554751164.db2.gz ZQXVFZVLCKCNRN-JTSJOTPCSA-N 1 0 555.767 5.766 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)c(OC)c1 ZINC000101386167 554751304 /nfs/dbraw/zinc/75/13/04/554751304.db2.gz GJRJSGAKIAPDFN-GVYVVWIYSA-N 1 0 623.798 6.150 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CC[NH+](C)CC2)C1(C)C ZINC000101386200 554751461 /nfs/dbraw/zinc/75/14/61/554751461.db2.gz NUWQCCWWFGRSRO-QGRQJHSQSA-N 1 0 623.817 6.943 50 0 KKAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CC[NH+](C)CC2)cc1 ZINC000101386243 554751746 /nfs/dbraw/zinc/75/17/46/554751746.db2.gz OICWGDKCYXFDBU-NHZFLZHXSA-N 1 0 592.784 6.747 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[C@@H]([NH+]5CCCCC5)C[C@@H]43)C2=O)cc1 ZINC000101391660 554755175 /nfs/dbraw/zinc/75/51/75/554755175.db2.gz FHGMGORRSXHTRZ-AHKAMDFCSA-N 1 0 579.539 5.414 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391633 554755186 /nfs/dbraw/zinc/75/51/86/554755186.db2.gz HMYBVOZWVICHGA-MVSFAKPFSA-N 1 0 587.518 5.282 50 0 KKAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000101408064 554762778 /nfs/dbraw/zinc/76/27/78/554762778.db2.gz BHBWTNLABIEKFW-UHFFFAOYSA-N 1 0 538.692 6.070 50 0 KKAARO C[C@@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410937 554763736 /nfs/dbraw/zinc/76/37/36/554763736.db2.gz VCYRPWJEMIMZOW-WBBHLRKXSA-N 1 0 559.751 5.930 50 0 KKAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000101416212 554765087 /nfs/dbraw/zinc/76/50/87/554765087.db2.gz YQPIZBACKPPKDZ-QLKFWGTOSA-N 1 0 591.777 6.088 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416268 554765370 /nfs/dbraw/zinc/76/53/70/554765370.db2.gz JYEBJRKQXHXRCT-DNQXCXABSA-N 1 0 573.759 5.394 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000101454579 554776484 /nfs/dbraw/zinc/77/64/84/554776484.db2.gz LPYAKSMZYGXNQY-LDLOPFEMSA-N 1 0 549.712 5.785 50 0 KKAARO C[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)CCc1ccccc1 ZINC000101454828 554776717 /nfs/dbraw/zinc/77/67/17/554776717.db2.gz BFLMYEKQHOUWOL-RRHRGVEJSA-N 1 0 555.675 5.057 50 0 KKAARO C[N@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)CCc1ccccc1 ZINC000101454831 554776742 /nfs/dbraw/zinc/77/67/42/554776742.db2.gz BFLMYEKQHOUWOL-FAIXQHPJSA-N 1 0 555.675 5.057 50 0 KKAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456890 554777576 /nfs/dbraw/zinc/77/75/76/554777576.db2.gz ONHROEQQXIKAMX-UHFFFAOYSA-N 1 0 575.775 5.640 50 0 KKAARO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000101506529 554790433 /nfs/dbraw/zinc/79/04/33/554790433.db2.gz QXGPIECVZDOULM-SNCSUOKWSA-N 1 0 565.783 7.074 50 0 KKAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000101506551 554790492 /nfs/dbraw/zinc/79/04/92/554790492.db2.gz OKPYRTOHCIKCLU-MDAYZVFASA-N 1 0 592.784 6.032 50 0 KKAARO COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)c1 ZINC000101514611 554793601 /nfs/dbraw/zinc/79/36/01/554793601.db2.gz LCCZMJFAFLRPJK-UHFFFAOYSA-N 1 0 561.704 5.116 50 0 KKAARO CCCC[NH+](CCCC)CCNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(OCC)cc3)s2)CC1 ZINC000101575585 554799084 /nfs/dbraw/zinc/79/90/84/554799084.db2.gz GZAGYAJMQSDYGJ-UHFFFAOYSA-N 1 0 581.831 5.574 50 0 KKAARO C[N@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000101605578 554805047 /nfs/dbraw/zinc/80/50/47/554805047.db2.gz MXNHNTWVKTXXMV-UHFFFAOYSA-N 1 0 570.686 6.610 50 0 KKAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617767 554806351 /nfs/dbraw/zinc/80/63/51/554806351.db2.gz MRCUCPRDJPJKLX-LOYHVIPDSA-N 1 0 545.749 6.516 50 0 KKAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101618679 554806882 /nfs/dbraw/zinc/80/68/82/554806882.db2.gz FXZDDLBXFPVEOS-ACHIHNKUSA-N 1 0 570.803 5.917 50 0 KKAARO C[N@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000101634345 554812440 /nfs/dbraw/zinc/81/24/40/554812440.db2.gz XTZKFMFIQVJDIA-UHFFFAOYSA-N 1 0 561.985 8.185 50 0 KKAARO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000101634174 554812461 /nfs/dbraw/zinc/81/24/61/554812461.db2.gz SGABPXKPDXNGOH-UHFFFAOYSA-N 1 0 589.677 8.055 50 0 KKAARO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101637419 554813344 /nfs/dbraw/zinc/81/33/44/554813344.db2.gz OAAYEZWDZCQCSA-KVQDIILNSA-N 1 0 602.804 6.223 50 0 KKAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)cc3N(C)C2=O)c1 ZINC000101640294 554814276 /nfs/dbraw/zinc/81/42/76/554814276.db2.gz ZUEOEWMNWNYTHA-NJZRLIGZSA-N 1 0 554.760 5.664 50 0 KKAARO COc1ccc(-c2nc3ccc(C(=O)NC[C@@H](C)C[NH+]4CCC(C)CC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000101677183 554828085 /nfs/dbraw/zinc/82/80/85/554828085.db2.gz OKOFXWXVSRGKEA-HSZRJFAPSA-N 1 0 538.692 6.079 50 0 KKAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)c3c2)CC1 ZINC000101687089 554829681 /nfs/dbraw/zinc/82/96/81/554829681.db2.gz AGKQYYVXGGVXBO-UHFFFAOYSA-N 1 0 611.812 5.402 50 0 KKAARO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101687754 554829981 /nfs/dbraw/zinc/82/99/81/554829981.db2.gz SYKYJEKWXUYITN-RRAHZORUSA-N 1 0 565.114 5.287 50 0 KKAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)Cc1ccccc1 ZINC000101689391 554830426 /nfs/dbraw/zinc/83/04/26/554830426.db2.gz NIVOZKCSVMEDIV-XHLNEMQHSA-N 1 0 576.535 6.024 50 0 KKAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843142 554843092 /nfs/dbraw/zinc/84/30/92/554843092.db2.gz DFSIEZWLZUDNIX-LOYHVIPDSA-N 1 0 544.765 5.009 50 0 KKAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101868774 554845432 /nfs/dbraw/zinc/84/54/32/554845432.db2.gz RPULQVSUAVMUDJ-UHFFFAOYSA-N 1 0 595.707 5.724 50 0 KKAARO COc1ccccc1-c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000101905044 554848392 /nfs/dbraw/zinc/84/83/92/554848392.db2.gz KJWZMHQYBMVXPJ-UHFFFAOYSA-N 1 0 552.078 6.120 50 0 KKAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000101917488 554850906 /nfs/dbraw/zinc/85/09/06/554850906.db2.gz GGRBNSHBAHRXER-UHFFFAOYSA-N 1 0 548.615 5.442 50 0 KKAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101979346 554863337 /nfs/dbraw/zinc/86/33/37/554863337.db2.gz YDXLFGZOYLHKAQ-FIRIVFDPSA-N 1 0 541.761 6.308 50 0 KKAARO CCN1c2ccc3ccccc3c2S/C1=C\C=C1/CCCC(/C=C/c2sc3c(ccc4ccccc34)[n+]2CC)=C1C ZINC000102042770 554869737 /nfs/dbraw/zinc/86/97/37/554869737.db2.gz JEOUGMSQWGZUKS-UHFFFAOYSA-N 1 0 571.835 10.429 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000102045810 554869997 /nfs/dbraw/zinc/86/99/97/554869997.db2.gz CSLZNTHRQBMYGL-UTONBFNKSA-N 1 0 585.789 6.864 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1cc(OC)cc(OC)c1 ZINC000102045803 554870038 /nfs/dbraw/zinc/87/00/38/554870038.db2.gz CSLZNTHRQBMYGL-UBOZLPQGSA-N 1 0 585.789 6.864 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(OC)c(OC)c1 ZINC000102045729 554870088 /nfs/dbraw/zinc/87/00/88/554870088.db2.gz RQGXGUUJUITAQI-FYBSXPHGSA-N 1 0 573.753 6.995 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)c1ccc(F)cc1 ZINC000102045830 554870091 /nfs/dbraw/zinc/87/00/91/554870091.db2.gz QCECIXKHGRSZJC-OOWIMERYSA-N 1 0 543.727 6.986 50 0 KKAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000102045892 554870216 /nfs/dbraw/zinc/87/02/16/554870216.db2.gz NKQIAUYQXYUDEZ-RNAHPLFWSA-N 1 0 563.708 7.857 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102045870 554870254 /nfs/dbraw/zinc/87/02/54/554870254.db2.gz YMJNFVBWFLWQNT-NWWLCHBLSA-N 1 0 631.861 8.426 50 0 KKAARO CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050855 554871175 /nfs/dbraw/zinc/87/11/75/554871175.db2.gz XJLYNBVANNQYLU-GDLZYMKVSA-N 1 0 559.751 5.919 50 0 KKAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098272 554880344 /nfs/dbraw/zinc/88/03/44/554880344.db2.gz AJUYWEKSDZUJOC-XMMPIXPASA-N 1 0 570.509 6.324 50 0 KKAARO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102102977 554882024 /nfs/dbraw/zinc/88/20/24/554882024.db2.gz BEUCYLDGULLRKH-WJOKGBTCSA-N 1 0 569.790 6.435 50 0 KKAARO Cc1ccc(C)c(NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000102103461 554882054 /nfs/dbraw/zinc/88/20/54/554882054.db2.gz SYZSXRYXVZWPSC-UHFFFAOYSA-N 1 0 553.260 8.010 50 0 KKAARO COC(=O)CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102122804 554883988 /nfs/dbraw/zinc/88/39/88/554883988.db2.gz RPVJJZRHUWLPCU-NEKDWFFYSA-N 1 0 585.671 5.070 50 0 KKAARO CC1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132614 554886648 /nfs/dbraw/zinc/88/66/48/554886648.db2.gz DBSRONIJQGGWBB-UHFFFAOYSA-N 1 0 544.140 5.492 50 0 KKAARO CC[C@H](C(=O)N1C[C@H](C[NH+]2CCN(c3cccc(OC)c3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000102136066 554887776 /nfs/dbraw/zinc/88/77/76/554887776.db2.gz IPSDASVBSOCDAK-JOYXZSCHSA-N 1 0 565.680 6.272 50 0 KKAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)NCc1ccc(C(F)(F)F)cc1 ZINC000102195640 554895336 /nfs/dbraw/zinc/89/53/36/554895336.db2.gz JCJMFOSKVQUREN-UHFFFAOYSA-N 1 0 532.566 5.416 50 0 KKAARO COc1cccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102299273 554908178 /nfs/dbraw/zinc/90/81/78/554908178.db2.gz RFYKGMBYUGOKGL-SUYBVONHSA-N 1 0 580.695 6.146 50 0 KKAARO O=C1c2cccc(N3CC[NH+](CC(c4ccccc4)c4ccccc4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102338042 554912902 /nfs/dbraw/zinc/91/29/02/554912902.db2.gz ABLQPUZAIUBCFU-UHFFFAOYSA-N 1 0 545.639 5.166 50 0 KKAARO CC(C)OC(=O)[C@H]1OP(=O)(OC(c2ccccc2)(c2ccccc2)C23CC[NH+](CC2)CC3)O[C@@H]1C(=O)OC(C)C ZINC000102347393 554913348 /nfs/dbraw/zinc/91/33/48/554913348.db2.gz AFXPHJANXRXQPI-UIOOFZCWSA-N 1 0 571.607 5.228 50 0 KKAARO COc1ccc(CN2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1C ZINC000102380051 554918516 /nfs/dbraw/zinc/91/85/16/554918516.db2.gz MKAVFWWCIMQBEJ-WNJJXGMVSA-N 1 0 551.716 6.010 50 0 KKAARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576530 554971722 /nfs/dbraw/zinc/97/17/22/554971722.db2.gz WAVLQOGKLZLFIK-LEAFIULHSA-N 1 0 542.617 6.867 50 0 KKAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C3CCCCC3)CC2)CC1 ZINC000102613053 554982518 /nfs/dbraw/zinc/98/25/18/554982518.db2.gz DTMAFDBXBCDVJR-BUHFOSPRSA-N 1 0 568.784 5.118 50 0 KKAARO O=C1c2cccc(N3CC[NH+](Cc4cccc5cccnc54)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000102614110 554983804 /nfs/dbraw/zinc/98/38/04/554983804.db2.gz HTYJKXHPKCJPIR-UHFFFAOYSA-N 1 0 530.550 5.372 50 0 KKAARO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000102635330 554990406 /nfs/dbraw/zinc/99/04/06/554990406.db2.gz YNMDWUYVHVQQAK-YWWISXKNSA-N 1 0 554.557 7.807 50 0 KKAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000102661956 555000750 /nfs/dbraw/zinc/00/07/50/555000750.db2.gz MOYQRMMVXGGGLE-MGBGTMOVSA-N 1 0 599.816 5.953 50 0 KKAARO COc1ccc(CNC(=O)CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000102684141 555006663 /nfs/dbraw/zinc/00/66/63/555006663.db2.gz LCSGFXWGJVHZAT-QCENPCRXSA-N 1 0 591.196 5.467 50 0 KKAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746808 555039620 /nfs/dbraw/zinc/03/96/20/555039620.db2.gz FKMWAADKCPNCJD-LJAQVGFWSA-N 1 0 560.720 5.006 50 0 KKAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000102748149 555042125 /nfs/dbraw/zinc/04/21/25/555042125.db2.gz XBLQPYODUNULTQ-RWYGWLOXSA-N 1 0 584.141 6.062 50 0 KKAARO CCOc1ccc(-c2nc3ccc(C(=O)NCCC[NH+](CC(C)C)CC(C)C)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771921 555060966 /nfs/dbraw/zinc/06/09/66/555060966.db2.gz IWIMWJPHMLWGQU-UHFFFAOYSA-N 1 0 582.789 7.495 50 0 KKAARO CCc1ccccc1NC(=S)N(CCC[NH+](CC(C)C)CC(C)C)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000102773271 555061916 /nfs/dbraw/zinc/06/19/16/555061916.db2.gz DZQSEPJATQIUPA-UHFFFAOYSA-N 1 0 553.260 7.955 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102788283 555068269 /nfs/dbraw/zinc/06/82/69/555068269.db2.gz MCOFBGSQGCDHEZ-VQNDASPWSA-N 1 0 573.762 6.853 50 0 KKAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCN(c5cc(C)ccc5C)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787669 555068333 /nfs/dbraw/zinc/06/83/33/555068333.db2.gz QLUVLAVLWYGIDK-QEOQBAOWSA-N 1 0 630.858 7.234 50 0 KKAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000102888323 555121546 /nfs/dbraw/zinc/12/15/46/555121546.db2.gz DRIHSNFSDAAMGQ-HPQIJTKRSA-N 1 0 553.540 6.013 50 0 KKAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncnc4c3sc3nc(N5CCOCC5)c5c(c34)CCC5)CC2)cc1 ZINC000102888538 555121788 /nfs/dbraw/zinc/12/17/88/555121788.db2.gz GHTINLDVDNSLPR-UHFFFAOYSA-N 1 0 562.743 5.476 50 0 KKAARO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000102927018 555151714 /nfs/dbraw/zinc/15/17/14/555151714.db2.gz JCHWROHQPRIYBU-UHFFFAOYSA-N 1 0 547.120 6.971 50 0 KKAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(/C=C/c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000102936649 555164372 /nfs/dbraw/zinc/16/43/72/555164372.db2.gz XTCYTZQBJDEKDE-YNDXKIBTSA-N 1 0 586.739 9.601 50 0 KKAARO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CC[NH+](C)CC3)C2=O)cc1C ZINC000103004545 555202833 /nfs/dbraw/zinc/20/28/33/555202833.db2.gz AOLKEIWDSGWETN-XIEYBQDHSA-N 1 0 501.030 5.349 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103020177 555211536 /nfs/dbraw/zinc/21/15/36/555211536.db2.gz PQJMDRKTCDCMQF-UHFFFAOYSA-N 1 0 538.534 5.384 50 0 KKAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103024649 555215051 /nfs/dbraw/zinc/21/50/51/555215051.db2.gz GRPMVWLWYQNVRX-UHFFFAOYSA-N 1 0 581.605 6.413 50 0 KKAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(Cl)c(Cl)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025468 555215619 /nfs/dbraw/zinc/21/56/19/555215619.db2.gz GREGUXSDXJJGIS-UHFFFAOYSA-N 1 0 532.491 5.819 50 0 KKAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCN(c4cccc(OC)c4)CC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052189 555234125 /nfs/dbraw/zinc/23/41/25/555234125.db2.gz ZXXOGPRLYYFKCZ-QCDSWUKFSA-N 1 0 567.652 5.330 50 0 KKAARO COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCN(c4cccc(OC)c4)CC3)C2)cc1 ZINC000103052190 555234348 /nfs/dbraw/zinc/23/43/48/555234348.db2.gz ZXXOGPRLYYFKCZ-RNAHPLFWSA-N 1 0 567.652 5.330 50 0 KKAARO COc1ccc(CC(=O)N2C[C@@H](C[NH+]3CCN(c4cccc(OC)c4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052195 555234389 /nfs/dbraw/zinc/23/43/89/555234389.db2.gz ZXXOGPRLYYFKCZ-FYBSXPHGSA-N 1 0 567.652 5.330 50 0 KKAARO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000103072380 555252357 /nfs/dbraw/zinc/25/23/57/555252357.db2.gz CQHXEODWKVDYAN-PMERELPUSA-N 1 0 573.778 6.310 50 0 KKAARO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(C)ccc1C ZINC000103074226 555253711 /nfs/dbraw/zinc/25/37/11/555253711.db2.gz XLRLXJZVNQSMAT-UHFFFAOYSA-N 1 0 550.574 7.965 50 0 KKAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103110326 555285043 /nfs/dbraw/zinc/28/50/43/555285043.db2.gz OUZUKTFIEWRZLN-UHFFFAOYSA-N 1 0 544.622 5.022 50 0 KKAARO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103123065 555291580 /nfs/dbraw/zinc/29/15/80/555291580.db2.gz GSFVNNWWCSFKHF-MXBOTTGLSA-N 1 0 552.656 7.844 50 0 KKAARO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NCC[NH+]3CCCC3)C[C@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103124827 555292798 /nfs/dbraw/zinc/29/27/98/555292798.db2.gz YKGIQDXUZSLCJD-DEJVGURISA-N 1 0 594.646 5.211 50 0 KKAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103176917 555327660 /nfs/dbraw/zinc/32/76/60/555327660.db2.gz NMUYQZLERIIQGM-UHFFFAOYSA-N 1 0 588.694 6.813 50 0 KKAARO CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000103324150 555359019 /nfs/dbraw/zinc/35/90/19/555359019.db2.gz LQZNVGXSPGQKRA-HKBQPEDESA-N 1 0 582.726 5.865 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363158 555365283 /nfs/dbraw/zinc/36/52/83/555365283.db2.gz SGHUENSJVVOIES-MYUZEXMDSA-N 1 0 575.537 6.296 50 0 KKAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103363839 555365638 /nfs/dbraw/zinc/36/56/38/555365638.db2.gz DUPDXWPLUIVTAU-UHFFFAOYSA-N 1 0 543.543 6.320 50 0 KKAARO COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(-c2ccc(Cl)cc2)nn3-c2ccc(C)cc2)c1 ZINC000103397833 555383929 /nfs/dbraw/zinc/38/39/29/555383929.db2.gz ZHTFQZIOCLFJRK-JGCGQSQUSA-N 1 0 634.202 5.365 50 0 KKAARO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](c1cn(Cc2ccc(C)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000103419213 555399606 /nfs/dbraw/zinc/39/96/06/555399606.db2.gz HMZABCSOXPZFOD-SUYBVONHSA-N 1 0 577.735 8.166 50 0 KKAARO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1 ZINC000103419521 555399891 /nfs/dbraw/zinc/39/98/91/555399891.db2.gz JJXBSRAAXNVJDB-MGBGTMOVSA-N 1 0 587.764 7.011 50 0 KKAARO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3Cl)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103536452 555435925 /nfs/dbraw/zinc/43/59/25/555435925.db2.gz HQINTFJHPQGABW-FVYOSNSJSA-N 1 0 561.037 6.330 50 0 KKAARO C[C@H]1S[C@]2(c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)N(c2cccc(Cl)c2)C1=O ZINC000103555564 555445821 /nfs/dbraw/zinc/44/58/21/555445821.db2.gz HTSLORJIJDNBKV-DFXYEROKSA-N 1 0 532.109 5.920 50 0 KKAARO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000103578583 555451268 /nfs/dbraw/zinc/45/12/68/555451268.db2.gz ICIIJZSWXYZDKU-FIPFOOKPSA-N 1 0 554.131 6.015 50 0 KKAARO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc1C[C@@H]3N(C)CC2 ZINC000165710147 562850305 /nfs/dbraw/zinc/85/03/05/562850305.db2.gz DRACRVAKPKYPSB-VMPREFPWSA-N 1 0 682.814 6.760 50 0 KKAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290828 562851814 /nfs/dbraw/zinc/85/18/14/562851814.db2.gz WBNPBXSTUXIXRN-SEYIBYQZSA-N 1 0 550.124 5.519 50 0 KKAARO Cc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000248331718 562881619 /nfs/dbraw/zinc/88/16/19/562881619.db2.gz HTVNOZMEKLYJJG-QGTOFTNVSA-N 1 0 513.597 5.163 50 0 KKAARO C(=C1\CCC2=C1[NH+](Cc1ccccc1)C1=C(CC/C1=C\c1ccccc1)C2c1ccccc1)\c1ccccc1 ZINC000104022288 571371332 /nfs/dbraw/zinc/37/13/32/571371332.db2.gz BUZVCTBEVQVGKM-NUNOFNGCSA-N 1 0 503.689 9.549 50 0 KKAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000104147805 571375192 /nfs/dbraw/zinc/37/51/92/571375192.db2.gz MZHCOPLNARTXDR-ITOWZWGRSA-N 1 0 551.131 5.202 50 0 KKAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147460 571375211 /nfs/dbraw/zinc/37/52/11/571375211.db2.gz DQWOZLGJVALEIT-KVXGTOJUSA-N 1 0 558.792 5.710 50 0 KKAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962681 571388556 /nfs/dbraw/zinc/38/85/56/571388556.db2.gz MTGSXIHYCJSSAY-UYAOXDASSA-N 1 0 509.569 5.155 50 0 KKAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984904 571388806 /nfs/dbraw/zinc/38/88/06/571388806.db2.gz YWJCPDUGNPGTHU-IFMALSPDSA-N 1 0 507.389 5.298 50 0 KKAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000105003790 571388890 /nfs/dbraw/zinc/38/88/90/571388890.db2.gz JUYMECFYFTYQJZ-LITSAYRRSA-N 1 0 536.738 5.276 50 0 KKAARO Cc1cccc(C[N@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000105023108 571389458 /nfs/dbraw/zinc/38/94/58/571389458.db2.gz JGCONOBZURGCRR-GPNASLBKSA-N 1 0 508.637 6.366 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042056 571390124 /nfs/dbraw/zinc/39/01/24/571390124.db2.gz OQDQWEHJGKJEQU-SVEHJYQDSA-N 1 0 520.639 7.103 50 0 KKAARO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)C2)cc(OC)c1 ZINC000105041359 571390141 /nfs/dbraw/zinc/39/01/41/571390141.db2.gz ZXOFJOFVHPIAAQ-IRPSRAIASA-N 1 0 504.646 5.857 50 0 KKAARO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041668 571390148 /nfs/dbraw/zinc/39/01/48/571390148.db2.gz GSFVNNWWCSFKHF-HVNZXBJASA-N 1 0 552.656 7.844 50 0 KKAARO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000105060494 571390785 /nfs/dbraw/zinc/39/07/85/571390785.db2.gz FCXWUYCGGPJHNB-YKGWIAGDSA-N 1 0 548.728 6.113 50 0 KKAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000105060331 571390854 /nfs/dbraw/zinc/39/08/54/571390854.db2.gz RFSYZUIEKFFPTC-BCHFMIIMSA-N 1 0 542.532 5.684 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC[NH+](C)CC2)C1(C)C ZINC000105863846 571409033 /nfs/dbraw/zinc/40/90/33/571409033.db2.gz YZRKFWBJWMWSRQ-CWOGBHQLSA-N 1 0 570.822 6.146 50 0 KKAARO C[C@@H]1[C@@H]2C[C@H]3[C@@](C2)([C@H]1O)[C@@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]2(C)CCC[C@@]31C=[N+](CCOC(=O)c1ccccc1)C2 ZINC000106533494 571412794 /nfs/dbraw/zinc/41/27/94/571412794.db2.gz ZGJNBFONRAJFJM-LFJVKYRQSA-N 1 0 556.723 5.386 50 0 biogenic KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4[nH]c(CC(C)C)nc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449443 571424651 /nfs/dbraw/zinc/42/46/51/571424651.db2.gz PMWVQZAGFDZLSS-SANMLTNESA-N 1 0 641.769 5.769 50 0 biogenic KKAARO CCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000150345845 571460173 /nfs/dbraw/zinc/46/01/73/571460173.db2.gz QMKSCTINHJSWPD-UHFFFAOYSA-N 1 0 659.346 7.326 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000150386076 571469273 /nfs/dbraw/zinc/46/92/73/571469273.db2.gz KPXRSOBZIDDLJG-AIKBEYBBSA-N 1 0 634.507 6.285 50 0 KKAARO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150388806 571471126 /nfs/dbraw/zinc/47/11/26/571471126.db2.gz XOBMEPQBPDYHCR-UHFFFAOYSA-N 1 0 709.846 10.822 50 0 KKAARO Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+](CC(C)C)CC(C)C)cc1 ZINC000150389169 571471563 /nfs/dbraw/zinc/47/15/63/571471563.db2.gz HVQFPSYIFZXGGC-LFIBNONCSA-N 1 0 656.141 9.607 50 0 KKAARO CC(C)C[NH+](Cc1c(OC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389268 571471621 /nfs/dbraw/zinc/47/16/21/571471621.db2.gz UPGJJWNRYPULEE-VXLYETTFSA-N 1 0 684.195 10.288 50 0 KKAARO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(C[NH+](CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389244 571471673 /nfs/dbraw/zinc/47/16/73/571471673.db2.gz KTBGNVNTFOWDHN-CPNJWEJPSA-N 1 0 677.804 10.251 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396381 571476524 /nfs/dbraw/zinc/47/65/24/571476524.db2.gz KRTPVRYRZIBVMA-SSEXGKCCSA-N 1 0 654.664 6.325 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150396513 571476593 /nfs/dbraw/zinc/47/65/93/571476593.db2.gz BSVDOXBONOXZEZ-YTTGMZPUSA-N 1 0 667.703 7.458 50 0 KKAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414334 571485039 /nfs/dbraw/zinc/48/50/39/571485039.db2.gz GJMZZOIHKBOMPD-PMERELPUSA-N 1 0 638.209 5.811 50 0 KKAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000150418569 571486628 /nfs/dbraw/zinc/48/66/28/571486628.db2.gz KFOGMGWMASRTIU-JGCGQSQUSA-N 1 0 642.822 5.548 50 0 KKAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000150426716 571490993 /nfs/dbraw/zinc/49/09/93/571490993.db2.gz YUHFNNBQUBIYII-UHFFFAOYSA-N 1 0 647.172 5.414 50 0 KKAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1Br ZINC000150450594 571502386 /nfs/dbraw/zinc/50/23/86/571502386.db2.gz SURXACJKVOHVQF-ZTKZIYFRSA-N 1 0 639.591 5.405 50 0 KKAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000150522467 571520139 /nfs/dbraw/zinc/52/01/39/571520139.db2.gz TZBJSKJBOIGZBE-ILFWFZRHSA-N 1 0 643.788 5.473 50 0 KKAARO Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CC[NH+](C)CC2)C1(C)C ZINC000150602760 571522718 /nfs/dbraw/zinc/52/27/18/571522718.db2.gz VGBLLXYHSNXODN-NBWQQBAWSA-N 1 0 665.854 6.714 50 0 KKAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000150683442 571529032 /nfs/dbraw/zinc/52/90/32/571529032.db2.gz LRGYBFLJIOVOAW-KYDXGADESA-N 1 0 724.327 6.654 50 0 KKAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000158988301 571529929 /nfs/dbraw/zinc/52/99/29/571529929.db2.gz NSLBTBGUFUPTCR-FTJBHMTQSA-N 1 0 759.370 7.774 50 0 KKAARO C(=C/C1=C2SC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)\C=C1/CCCc2c(-c3ccccc3)cc(-c3ccccc3)[s+]c21 ZINC000162990997 571532514 /nfs/dbraw/zinc/53/25/14/571532514.db2.gz SEMPFTBONNTLQU-UHFFFAOYSA-N 1 0 641.925 13.319 50 0 KKAARO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677355 571554674 /nfs/dbraw/zinc/55/46/74/571554674.db2.gz KBOITOQUUWEKPB-WTYVLRPYSA-N 1 0 552.741 5.712 50 0 KKAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000169677788 571555234 /nfs/dbraw/zinc/55/52/34/571555234.db2.gz SXXSYXTZECCWKB-DLBZAZTESA-N 1 0 516.530 5.645 50 0 KKAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000169677787 571555336 /nfs/dbraw/zinc/55/53/36/571555336.db2.gz SXXSYXTZECCWKB-IAGOWNOFSA-N 1 0 516.530 5.645 50 0 KKAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679099 571556243 /nfs/dbraw/zinc/55/62/43/571556243.db2.gz LJTKYKHOOQYBBA-NOZRDPDXSA-N 1 0 517.592 5.128 50 0 KKAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679100 571556285 /nfs/dbraw/zinc/55/62/85/571556285.db2.gz LJTKYKHOOQYBBA-ZCYQVOJMSA-N 1 0 517.592 5.128 50 0 KKAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680887 571557278 /nfs/dbraw/zinc/55/72/78/571557278.db2.gz YGVLIVLQCUTCGO-KCWXNJEJSA-N 1 0 519.686 5.160 50 0 KKAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)OC1(CCCCC1)CC3 ZINC000170613374 571561928 /nfs/dbraw/zinc/56/19/28/571561928.db2.gz YCIUCRDWESOBAM-BVAGGSTKSA-N 1 0 506.687 5.443 50 0 KKAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613394 571561953 /nfs/dbraw/zinc/56/19/53/571561953.db2.gz JWHCSLSSRVHCLF-IDISGSTGSA-N 1 0 533.068 6.400 50 0 KKAARO CCCC[NH+](CCCC)CCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261491980 572110354 /nfs/dbraw/zinc/11/03/54/572110354.db2.gz NZPFNWPMIGEXST-UHFFFAOYSA-N 1 0 502.534 6.682 50 0 KKAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCC2=CCCCC2)CC1 ZINC000299779051 572136198 /nfs/dbraw/zinc/13/61/98/572136198.db2.gz JKYINRMMXGMELH-IGYGKHONSA-N 1 0 579.229 6.148 50 0 KKAARO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000230031488 572180187 /nfs/dbraw/zinc/18/01/87/572180187.db2.gz MGKOMNMQYXSJFY-FVYOSNSJSA-N 1 0 558.565 5.536 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077230 572182801 /nfs/dbraw/zinc/18/28/01/572182801.db2.gz GJBGVNWKVVQVRR-WDYNHAJCSA-N 1 0 515.723 6.000 50 0 KKAARO C[NH+](C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1cccc(C(F)(F)F)c1 ZINC000238899393 572189131 /nfs/dbraw/zinc/18/91/31/572189131.db2.gz GFOXWFGNFKAEBK-JOCHJYFZSA-N 1 0 503.528 6.685 50 0 KKAARO COc1cccc([C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000239433434 572195942 /nfs/dbraw/zinc/19/59/42/572195942.db2.gz XRSLSNHSYZGALL-DVTKYRPYSA-N 1 0 500.639 5.362 50 0 KKAARO CC[N@H+](CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000245235031 572209871 /nfs/dbraw/zinc/20/98/71/572209871.db2.gz GZALGSHCPGBAGE-DGPALRBDSA-N 1 0 517.645 5.347 50 0 KKAARO CC(C)N(C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279051 572224040 /nfs/dbraw/zinc/22/40/40/572224040.db2.gz BANXZYFKGPGFNK-GJZUVCINSA-N 1 0 501.568 5.949 50 0 KKAARO CC[N@@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@H]2C1 ZINC000245325690 572231857 /nfs/dbraw/zinc/23/18/57/572231857.db2.gz HHIDFPDEMOFTKO-HHHXNRCGSA-N 1 0 543.067 5.210 50 0 KKAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328435 572234897 /nfs/dbraw/zinc/23/48/97/572234897.db2.gz OLTYFLBAIKJLOR-XHCCPWGMSA-N 1 0 526.077 5.251 50 0 KKAARO CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000245343213 572237625 /nfs/dbraw/zinc/23/76/25/572237625.db2.gz IFUCFNDIDHCYIO-LIUITUQLSA-N 1 0 525.023 6.450 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000245343787 572240249 /nfs/dbraw/zinc/24/02/49/572240249.db2.gz ZUBFLAGZJNQECR-XRHLQHRESA-N 1 0 596.577 5.453 50 0 KKAARO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488279 572242593 /nfs/dbraw/zinc/24/25/93/572242593.db2.gz LLMGXIPNHFPWMU-HXUWFJFHSA-N 1 0 582.340 6.079 50 0 KKAARO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480486 572242645 /nfs/dbraw/zinc/24/26/45/572242645.db2.gz ITFCHYHPQDLCQM-SFHVURJKSA-N 1 0 523.862 6.292 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000247518472 572242869 /nfs/dbraw/zinc/24/28/69/572242869.db2.gz KPXRSOBZIDDLJG-KCMDQZHASA-N 1 0 634.507 6.285 50 0 KKAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000247543788 572243213 /nfs/dbraw/zinc/24/32/13/572243213.db2.gz SZPXDUXKOUOUOC-FOPHHFTASA-N 1 0 561.707 5.108 50 0 KKAARO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247724770 572243819 /nfs/dbraw/zinc/24/38/19/572243819.db2.gz CYNIITRKXQWVPM-GOSISDBHSA-N 1 0 507.407 5.778 50 0 KKAARO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744039 572244488 /nfs/dbraw/zinc/24/44/88/572244488.db2.gz PNGLQQSVNUALDV-GOSISDBHSA-N 1 0 523.862 6.292 50 0 KKAARO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247759695 572244966 /nfs/dbraw/zinc/24/49/66/572244966.db2.gz ZXVUQBALAWJPAL-KRWDZBQOSA-N 1 0 558.307 6.946 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843261 572245926 /nfs/dbraw/zinc/24/59/26/572245926.db2.gz GEGYXXFPPKOILD-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247839132 572245959 /nfs/dbraw/zinc/24/59/59/572245959.db2.gz DWNZHSXQBYYBMB-QFIPXVFZSA-N 1 0 592.969 6.002 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844073 572246000 /nfs/dbraw/zinc/24/60/00/572246000.db2.gz GJVFSMLZEQNNMY-QHCPKHFHSA-N 1 0 596.990 6.606 50 0 KKAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854193 572246504 /nfs/dbraw/zinc/24/65/04/572246504.db2.gz BWDHGCXQRRMCJV-MHZLTWQESA-N 1 0 556.154 5.916 50 0 KKAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864520 572246888 /nfs/dbraw/zinc/24/68/88/572246888.db2.gz NZCXCVFOHKFAFN-RUZDIDTESA-N 1 0 572.551 5.344 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247867315 572246910 /nfs/dbraw/zinc/24/69/10/572246910.db2.gz BHPQXGWUAADBSP-VWLOTQADSA-N 1 0 591.678 5.673 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874532 572247465 /nfs/dbraw/zinc/24/74/65/572247465.db2.gz GMSWFSPBGHZSCQ-RUZDIDTESA-N 1 0 558.126 5.307 50 0 KKAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247881315 572248068 /nfs/dbraw/zinc/24/80/68/572248068.db2.gz VSALLOTZMOVXMY-VWLOTQADSA-N 1 0 528.100 5.299 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000247921511 572249531 /nfs/dbraw/zinc/24/95/31/572249531.db2.gz XUDAYJMTMXPOLY-QHCPKHFHSA-N 1 0 503.046 5.275 50 0 KKAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247924256 572249591 /nfs/dbraw/zinc/24/95/91/572249591.db2.gz YVANHRDAMSFUEQ-HSZRJFAPSA-N 1 0 547.497 5.384 50 0 KKAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247921721 572249656 /nfs/dbraw/zinc/24/96/56/572249656.db2.gz YBRKITHYQRTRLJ-NRFANRHFSA-N 1 0 533.470 5.325 50 0 KKAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939338 572249941 /nfs/dbraw/zinc/24/99/41/572249941.db2.gz OXOWYCXGJMAYHO-JOCHJYFZSA-N 1 0 655.424 6.291 50 0 KKAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247975227 572251144 /nfs/dbraw/zinc/25/11/44/572251144.db2.gz CHCUKDXHYSUCOW-HXUWFJFHSA-N 1 0 503.444 5.947 50 0 KKAARO CCCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)C(C)C ZINC000248014111 572252239 /nfs/dbraw/zinc/25/22/39/572252239.db2.gz SEEMXGBPRPORIF-NRFANRHFSA-N 1 0 511.508 6.037 50 0 KKAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1C ZINC000248059692 572252989 /nfs/dbraw/zinc/25/29/89/572252989.db2.gz CUWXCWCBURIDAX-NRFANRHFSA-N 1 0 517.471 6.256 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248085863 572253236 /nfs/dbraw/zinc/25/32/36/572253236.db2.gz FJKJDMZJSROZEX-DEOSSOPVSA-N 1 0 572.551 5.657 50 0 KKAARO CC[C@@H](C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248077869 572253307 /nfs/dbraw/zinc/25/33/07/572253307.db2.gz IYXQGTVXRXKXOE-MXBOTTGLSA-N 1 0 529.750 5.649 50 0 KKAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248097268 572253639 /nfs/dbraw/zinc/25/36/39/572253639.db2.gz IQLLZEXSVNXIAU-SANMLTNESA-N 1 0 542.127 5.607 50 0 KKAARO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248100990 572253664 /nfs/dbraw/zinc/25/36/64/572253664.db2.gz JOUBMNNMQPSEBR-XMMPIXPASA-N 1 0 511.645 5.034 50 0 KKAARO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2ccccc2)cc1 ZINC000248111164 572253807 /nfs/dbraw/zinc/25/38/07/572253807.db2.gz NUXSDKUBJGTUSZ-YTMVLYRLSA-N 1 0 508.628 7.028 50 0 KKAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[C@H]([NH+]5CCCCC5)C[C@@H]43)C2=O)cc1 ZINC000248266794 572257596 /nfs/dbraw/zinc/25/75/96/572257596.db2.gz FHGMGORRSXHTRZ-NSROOHRNSA-N 1 0 579.539 5.414 50 0 KKAARO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@@H+]3C[C@H]2CC)cc1 ZINC000248378804 572258558 /nfs/dbraw/zinc/25/85/58/572258558.db2.gz KQLDASGMVSYSES-MVZBJVRXSA-N 1 0 628.810 6.895 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000251999723 572259637 /nfs/dbraw/zinc/25/96/37/572259637.db2.gz MAESCUSNYDMNOD-VWLOTQADSA-N 1 0 525.672 5.288 50 0 KKAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000251984033 572259753 /nfs/dbraw/zinc/25/97/53/572259753.db2.gz GTNQFPSPBDTSOO-RUZDIDTESA-N 1 0 586.578 5.911 50 0 KKAARO CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252139626 572259798 /nfs/dbraw/zinc/25/97/98/572259798.db2.gz GDSLOORRTAEJLM-AREMUKBSSA-N 1 0 600.605 6.472 50 0 KKAARO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252370326 572260259 /nfs/dbraw/zinc/26/02/59/572260259.db2.gz XNRXEFIYPDBAQT-JOCHJYFZSA-N 1 0 531.498 6.762 50 0 KKAARO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)CC2)CC1 ZINC000252478283 572261465 /nfs/dbraw/zinc/26/14/65/572261465.db2.gz AICHBKNURKIUKC-LJAQVGFWSA-N 1 0 598.710 5.611 50 0 KKAARO CC(C)(C)OC[C@@H](O)CN1CCC([NH+]2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252501888 572261810 /nfs/dbraw/zinc/26/18/10/572261810.db2.gz UKLJBKKXUYJXOV-SANMLTNESA-N 1 0 568.725 5.119 50 0 KKAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252549249 572263376 /nfs/dbraw/zinc/26/33/76/572263376.db2.gz QYWSWKYZIAILOR-JGCGQSQUSA-N 1 0 670.851 5.616 50 0 KKAARO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CC[NH+](Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585318 572264533 /nfs/dbraw/zinc/26/45/33/572264533.db2.gz HSEDMGOCZZYPGG-CJCKGJRFSA-N 1 0 708.731 5.231 50 0 KKAARO CC[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586872 572265741 /nfs/dbraw/zinc/26/57/41/572265741.db2.gz UDUNPWMGWDRQOU-NAFNOZOPSA-N 1 0 619.206 5.099 50 0 KKAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC[C@@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000253387634 572282533 /nfs/dbraw/zinc/28/25/33/572282533.db2.gz JIVVYSVNBXXPDE-NVUWXOOISA-N 1 0 561.694 6.353 50 0 KKAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000253388959 572283116 /nfs/dbraw/zinc/28/31/16/572283116.db2.gz FWZPRJIMSLCVPB-XRHLQHRESA-N 1 0 575.537 6.296 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607449 572300972 /nfs/dbraw/zinc/30/09/72/572300972.db2.gz TWZQKTINXIAUQY-NDEPHWFRSA-N 1 0 570.181 6.251 50 0 KKAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607448 572300976 /nfs/dbraw/zinc/30/09/76/572300976.db2.gz TWZQKTINXIAUQY-MUUNZHRXSA-N 1 0 570.181 6.251 50 0 KKAARO